DATACON 3.

1
User’s Guide

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 DATACON 3.1 The software described in this guide is furnished under a license agree-
User’s Guide ment and may be used only in accordance with the terms of that agree-
ment. Information in this document is subject to change without notice.
Simulation Sciences Inc. assumes no liability for any damage to any hard-
ware or software component or any loss of data that may occur as a result
of the use of the information contained in this manual.
Copyright Notice Copyright © 1999 Simulation Sciences Inc. All rights reserved. No part of
this publication may be copied and/or distributed without the express writ-
ten permission of Simulation Sciences Inc., 601 Valencia Ave., Brea, CA
92823-6346.
Trademarks DATACON is a trademark of Simulation Sciences Inc.
SIMSCI is a registered mark of Simulation Sciences Inc.
@aGlance/IT is a trademark of Intuitive Technology Corporation.
PI is a registered trademark of OSI Software, Inc.
Windows, Windows 95, Windows 98, Windows NT, and MS-DOS are reg-
istered trademarks and/or trademarks of Microsoft Corporation.

All other products are trademarks or registered marks of their respective

companies.

Printed in the United States of America, June 1999.

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 Contents

Introduction
About This Manual . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .xiii
About DATACON 3.1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xiv
Uses . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xiv
About SIMSCI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvi
Where to Find Additional Help . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvii
Online Documentation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvii
Online Help . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvii
Technical Support . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvii
Authorized SIMSCI Technical Support Centers. . . . . . . . . . . . . . . . . . . . .xviii

Chapter 1 Using DATACON

Starting DATACON . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-1
DATACON Main Window . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-2
Working with On-Screen Color Coding Cues . . . . . . . . . . . . . . . . . . . . . . .1-3
Using the Floating Palettes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-3
Using the Toolbar Buttons . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-3
Using the Multiple View and PFD Palette Buttons. . . . . . . . . . . . . . .1-4
Using the Data Entry Window Buttons. . . . . . . . . . . . . . . . . . . . . . . .1-4
Using Go To Buttons. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-5
Using Run/Results Buttons . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-5
Using Delete and View Buttons . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-5
Using the Help Button. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-6
Using Data Entry Windows . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-6
Managing DATACON Files . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-6
Opening a New Reconciliation File . . . . . . . . . . . . . . . . . . . . . . . . . .1-7
Opening an Existing Reconciliation File . . . . . . . . . . . . . . . . . . . . . .1-7
Saving the Current Reconciliation . . . . . . . . . . . . . . . . . . . . . . . . . . .1-7
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DATACON 3.1 User’s Guide iii
 Saving a Reconciliation to Another Name . . . . . . . . . . . . . . . . . . . . . 1-8
Closing a Reconciliation File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-8
Deleting a Reconciliation File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-8
Copying a Reconciliation File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-8
Importing a DATACON Keyword File . . . . . . . . . . . . . . . . . . . . . . . . 1-9
Importing a Tag Data File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-9
Exporting Reconciliation Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-10
Exporting the Flowsheet Drawing . . . . . . . . . . . . . . . . . . . . . . . . . . 1-11
DATACON Program Files . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-11

Chapter 2 Data Reconciliation Basics

Defining the Scope of the Reconciliation. . . . . . . . . . . . . . . . . . . . . . . . . . . 2-1
General Approach . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-1
Defining the Input Units of Measure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-2
Selecting the Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-2
Modifying Component Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-3
Choosing the Thermodynamic Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-3
Thermodynamic Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-3
Assay Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-4
Reaction Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-4
Building the Flowsheet. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-4
Unit Operations. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-4
Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-4
Supplying the Operating Conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-5
Stream Information . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-5
Unit Operations. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-5
Tags for the Measured or Estimated Process Variables . . . . . . . . . . . 2-6
Generalized Specifications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-6
Miscellaneous Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-7
Color Indicators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-7
Running the Process Reconciliation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-8
Analyzing the Reconciliation Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-8

Chapter 3 Tutorial
Problem Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-1
Selecting the Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-3
Defining the Thermodynamic Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-4
Building the Flowsheet. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-5
Adding Process Units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-5
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iv Contents
 Adding Process Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-6
Importing the Raw Tag Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-7
Specifying the Process Stream Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-8
Stream Conditions and Tag Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-8
Specifying the Calculation Options and Standard Deviations . . . . . . . . . .3-11
Setting the Print Options. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-12
Running the Reconciliation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-13
Analyzing the Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-13
Output File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-13
Displaying Stream Properties on the PFD . . . . . . . . . . . . . . . . . . . .3-13
Exporting the PFD to the Windows Clipboard . . . . . . . . . . . . . . . . .3-14

Chapter 4 Global Defaults

Entering a Problem Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-1
Reconciliation Level . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-2
Setting the Units of Measure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-3
Global Defaults . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-3
Reconciliation Level . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-4
Units of Measure Library . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-5
Setting the Thermodynamic System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-6
Global Defaults . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-6
Reconciliation Level . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-7
Setting the Global Stream Rate Basis and Composition Basis. . . . . . . . . . .4-7
Setting General Drawing Defaults . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-8
Changing Color Cues . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-10

Chapter 5 Building a Flowsheet

Placing Units on the Flowsheet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-1
Selecting a Unit from the PFD Palette . . . . . . . . . . . . . . . . . . . . . . . .5-1
Placing Multiple Unit Icons on the Flowsheet . . . . . . . . . . . . . . . . . .5-2
Deleting a Unit . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-2
Relabeling a Unit. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-2
Drawing Streams. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-3
Drawing Feed Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-3
Drawing Product Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-4
Drawing a Connection. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-4
Changing a Connection . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-4
Connecting Streams When One Unit is Not Visible . . . . . . . . . . . . . .5-4
Relabeling a Stream . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-5
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DATACON 3.1 User’s Guide v
 Moving Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-5
Re-routing Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-5
Searching for a Unit or Stream. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-6
Going to a Unit . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-6
Going to a Stream . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-6
Drawing Freehand Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-7
Adding Text to the Flowsheet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-7
Editing Text. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-7
Aligning Text . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-8
Drawing Lines. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-8
Drawing Shapes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-8
Drawing Pages . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-10
Changing the Flowsheet Layout . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5-11

Chapter 6 Manipulating Objects

Selecting Objects or Groups of Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-1
Selecting Multiple Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-1
Selecting a Group of Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-2
Selecting All Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-2
Deselecting Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-3
Canceling a Selection Operation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-3
Resizing an Object . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-3
Changing the Size of a Selected Object . . . . . . . . . . . . . . . . . . . . . . . 6-3
Restoring Unit Icon Size. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-4
Redraw the Reconciliation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-5
Rearranging Objects or Groups of Objects . . . . . . . . . . . . . . . . . . . . . . . . . 6-5
Moving Selected Objects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-5
Rotating Selected Objects and Icons . . . . . . . . . . . . . . . . . . . . . . . . . 6-5
Flipping Selected Objects and Icons. . . . . . . . . . . . . . . . . . . . . . . . . . 6-5
Scrolling the Flowsheet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-6
Zooming the Flowsheet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-6
Zooming In on a Selected Area . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-6
Zooming to Show the Entire Flowsheet . . . . . . . . . . . . . . . . . . . . . . . 6-6
Opening Multiple Viewport Windows . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-7
Creating Block Diagrams . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-7
Panning . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-9
Displaying and Hiding the Pan View Window . . . . . . . . . . . . . . . . . . 6-9
Panning - Using the Pan View Window . . . . . . . . . . . . . . . . . . . . . . . 6-9
Panning - Using the Menu Options. . . . . . . . . . . . . . . . . . . . . . . . . . 6-10
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 Chapter 7 Specifying Component, Thermodynamic, and Stream Data
Component Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-1
Selecting Library Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-2
Entering User-Defined Components . . . . . . . . . . . . . . . . . . . . . . . . . .7-3
Defining Petroleum (PETRO) Components . . . . . . . . . . . . . . . . . . . .7-4
Deleting and Renaming Component Properties . . . . . . . . . . . . . . . . .7-5
Modifying Component Properties. . . . . . . . . . . . . . . . . . . . . . . . . . . .7-5
Assay Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-9
TBP Cutpoint Sets. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-10
Assay Characterization Options . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-12
Thermodynamic Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-13
Selecting Predefined Method Sets. . . . . . . . . . . . . . . . . . . . . . . . . . .7-14
Modifying Predefined Method Sets . . . . . . . . . . . . . . . . . . . . . . . . .7-16
Defining Transport Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-21
Specifying Water Decant Options . . . . . . . . . . . . . . . . . . . . . . . . . . .7-22
Stream Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-24
Entering Stream Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-25
Specifying Composition-Defined Streams . . . . . . . . . . . . . . . . . . . .7-26
Specifying Stream Thermal Conditions . . . . . . . . . . . . . . . . . . . . . .7-27
Performing Rate Compensation . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-27
Specifying Water Decant. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-28
Specifying Petroleum Assay Streams . . . . . . . . . . . . . . . . . . . . . . . .7-28
Specifying Reference Streams . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-30
Determining the Composition of Mixed Streams . . . . . . . . . . . . . . .7-31
Specifying Stream Accuracy Factor . . . . . . . . . . . . . . . . . . . . . . . . .7-31
Copying Stream Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7-31

Chapter 8 Unit Operations

Data Entry Windows for Unit Operations. . . . . . . . . . . . . . . . . . . . . . . . . . .8-1
Checking the Status of Unit Operation Data. . . . . . . . . . . . . . . . . . . .8-1
Grids and the X-Y Grid. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-2
Linked Text . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-2
Block Diagram . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-3
Calculator . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-3
Calculator Setup . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-4
Calculator Procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-5
Elements of the Language . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-6
Supplied Arrays. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-6
Solution Flag . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-6
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DATACON 3.1 User’s Guide vii
 Assignment Statements. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-6
Intrinsic Functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-7
Stream Property Storage Subroutines . . . . . . . . . . . . . . . . . . . . . . . . . 8-8
FORTRAN Calculational Flow Control Statements. . . . . . . . . . . . . . 8-9
FORTRAN DO Loops . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-9
Print Control Statements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-9
Calculation Termination Statements . . . . . . . . . . . . . . . . . . . . . . . . . . 8-9
Column . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Feeds and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Flash . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Feed and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-10
Estimates and Measurements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-11
Generalized Specifications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-11
Heat Exchanger, Simple . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-13
Feeds and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-13
Minimum Temperature Approach. . . . . . . . . . . . . . . . . . . . . . . . . . . 8-13
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-13
Heater . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-14
Heater Configuration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-14
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-14
Mixer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-15
Feed and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-15
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-15
Reaction Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-15
Specifying Reaction Sets . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-16
Defining the Heat of Reaction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-17
Specifying Equilibrium Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-17
Specifying Kinetic Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-18
Component Reaction Order . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-18
Splitter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Feeds and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Stoichiometric Reactor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Feeds and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Duty . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-19
Reaction Set . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8-20
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . . 8-20
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 Tank . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-20
Feeds and Products . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-20
Volume Accumulation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-20
Geometry and Dimensions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-21
Material and Unit Balance Methods . . . . . . . . . . . . . . . . . . . . . . . . .8-21

Chapter 9 Interfaces
Supported Interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-1
PI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-1
Open Database Connectivity (ODBC) . . . . . . . . . . . . . . . . . . . . . . . .9-2
@aGlance/IT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-2
Server Communication . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-2
Connecting to the Server . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-2
Troubleshooting . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-5
External Tags . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-7
Creating External Tags . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-7
Refreshing External Tags . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-8
Modifying External Tags. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-9
Exporting External Tag Values to the Server . . . . . . . . . . . . . . . . . . .9-9

Chapter 10 Running a Reconciliation

Using the Run Palette . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-1
Checking the Reconciliation Status . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-2
Running a Flowsheet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-3
Starting the Execution . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-3
Stopping the Execution . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-3
Viewing the Calculation History . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-4
Running Files in Batch Mode . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-4
Revising the File Execution Sequence Order . . . . . . . . . . . . . . . . . .10-7
Creating an Execution File List. . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-7
Executing the List of Selected Keyword Files . . . . . . . . . . . . . . . . .10-8
Terminating the Execution List . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10-8
Results of Batch Execution of Keyword Input (*.INP) Files . . . . . .10-9
Results of Batch Execution of Reconciliation (*.DC1) Files . . . . . .10-9

Chapter 11 Analyzing the Output

Defining the Output Format . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .11-1
Setting Units of Measure Report Options . . . . . . . . . . . . . . . . . . . . .11-1
Reports . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .11-2
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 DATACON Output Files . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-2
Generating a Report . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-4
Viewing a Report . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-5
Printing a Report . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-5
Spreadsheet Tools . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-6
Plots . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-6
Setting Up the Plot Driver. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-6
The Plot Viewer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-7
Setting Up the Printer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-8
Printing a Flowsheet Diagram . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-8

Chapter 12 Customizing the PFD Workplace

Changing Unit Style . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12-1
Changing the Unit Icon Globally . . . . . . . . . . . . . . . . . . . . . . . . . . . 12-1
Changing the Unit Icon for a Single Unit . . . . . . . . . . . . . . . . . . . . . 12-2
Changing the Label for a Particular Unit . . . . . . . . . . . . . . . . . . . . . 12-3
Changing Stream Style . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12-3
Displaying Stream Properties on Stream Labels . . . . . . . . . . . . . . . 12-5
Specifying a Default Editor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12-6
Changing the Default Font . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12-7

Appendix A Technical Reference

Random Errors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-1
Normal (Gaussian) Distribution . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-2
Data Reconciliation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-3
Measurements with Different Uncertainties . . . . . . . . . . . . . . . . . . . A-5
Interdependent Measurements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-6
Gross Error Detection. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-7
Gross Errors Statistical Tests . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-11
The Global Chi-square Test . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-11
The Chi-square Distribution . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-13
The Measurement Test . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-16
Principal Component Measurement Test . . . . . . . . . . . . . . . . . . . . A-16
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . A-19

Glossary

Index
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x Contents
 Introduction

About This Manual

The DATACON User’s Guide describes the capabilities of
DATACON 3.1, and includes step-by-step instructions for using the
features. An outline of the manual is provided below.

Chapter 1 Using DATACON Introduces the basic features of the PFD and
describes how to manage DATACON files.
Chapter 2 Reconciliation Outlines the steps for building and running a
Basics reconciliation.
Chapter 3 Tutorial Provides a step-by-step guide through a
reconciliation example problem.
Chapter 4 Global Defaults Describes how to change reconciliation
defaults.
Chapter 5 Building a Describes how to place unit operations and
Flowsheet connecting streams onto the PFD.
Chapter 6 Manipulating Describes how to move, resize, delete, rotate,
Objects and flip objects.
Chapter 7 Component, Describes how to select and specify compo-
Thermodynamic nent, assay and thermodynamic data.
and Stream Data
Chapter 8 Unit Operations Outlines the procedure for entering process
unit data.
Chapter 9 Interfaces Introduces the DATACON interfaces.
Chapter 10 Running a Describes how to run a reconciliation and view
Reconciliation the calculation history or results.
Chapter 11 Analyzing the Describes how to print your PFD and output
Output reports.
Chapter 12 Customizing Your Describes ways to control the look and feel of
PFD Workplace your PFD.
Appendix A Technical Presents the theoretical basis behind
Reference DATACON.
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DATACON 3.1 User’s Guide xi
 About DATACON 3.1
DATACON turns real time process data that are subject to random
errors as well as gross errors into consistent and reliable informa-
tion. Such information is essential for effective plant operation and
management. DATACON uses statistically sound techniques to rec-
oncile flow, temperature, and composition measurements such that
material, enthalpy, and component balances around each unit in a
plant are satisfied.

In addition to generating consistent data, DATACON detects gross

errors in measurements, pinpoints error locations, and identifies
measurement redundancy or lack thereof. DATACON also creates a
detailed error propagation analysis, reports the accuracy of each
variable, and indicates the measured entities that contributed to the
error in those variables.

Uses
DATACON performs plant data reconciliation based on an
advanced, sum of weighted least squares optimization technique,
subject to a set of heat and material balance equality constraints. In
summary, DATACON adjusts the measured data and gives estimates
to unmeasured variables where possible, in such a way that this set
of measured as well as estimated data satisfies heat and material
balance equations. This reconciled data can then be used for process
monitoring, process analysis and evaluation, process optimization
and what if studies. In the process of building a plant model, DATA-
CON can identify erroneous measurements and locate inaccurate
instruments. In terms of plant instrumentation analysis, DATACON
can be a powerful tool for the generation of strategic placement of
instruments to produce cost effective designs. In a study, DATA-
CON can be used to generate a snapshot of the plant to determine
instrumentation adequacy and/or redundancy.

DATACON works with four kinds of measured plant data:

■ Flow measurements
■ Temperature measurements
■ Pressure measurements
■ Stream composition measurements
DATACON handles ten types of unit operations—block diagram,
calculator, column, flash drum, heater, heat exchanger, mixer, reac-
tor, splitter, and tank.
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xii Introduction
 DATACON can generate the following balances for any unit
operation:

■ Heat and material balance equations

■ Material balance equations only
It may require more than one DATACON unit module to simulate a
process unit. For example, heater and splitter modules should be
used with a column module for the generation of energy and mass
balance constraints around columns.

In addition to the measured data, DATACON requires a set of initial

estimates for the unmeasured stream variables for the stream flow-
rates, temperatures, compositions, and pressures. As much as possi-
ble, these should be best estimates within reasonable ranges of the
actual conditions. It is especially important that these estimates are
reasonable because DATACON uses them to generate enthalpies
and heat capacities for the energy balance calculations. Based on
flow measurements alone, DATACON can meet the material bal-
ance equations around each unit operation by making adjustments
to the measured data and giving estimates to the unmeasured flow-
rates. With the addition of temperature measurements, DATACON
can generate material as well as energy balance equations around a
specified unit operation. The calculations are subject to both mate-
rial and energy balance equations. Likewise, with the addition of
measured component data, DATACON takes into consideration the
component balance equations in addition to the mass and/or energy
balance equations.

In calculating data reconciliations, DATACON uses weighting fac-

tors generated from the measurements’ standard deviations (indica-
tors of the inherent random error of the instruments) to approximate
the extent of accuracy of the measured data. At the end of a run,
DATACON performs statistical tests to indicate the overall state of
plant measurements (is there a global error?) as well as to the indi-
vidual measurements (are instrument errors likely?).

DATACON classifies the measurements as either:

■ Redundant, or

■ Non-redundant

DATACON also determines the unmeasured stream variables to be

either:

■ Observable (DATACON gives it a calculated value)

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DATACON 3.1 User’s Guide xiii
 ■ Unobservable (DATACON cannot generate an estimate)

DATACON calculates:

■ Heat duties for heat exchangers, heaters, flash, and reactors

■ UA values for heat exchangers

■ Extent of reactions for reactors.

About SIMSCI
DATACON 3.1 is backed by the full resources of Simulation Sci-
ences Inc. (SIMSCI), a leader in the process simulation business
since 1966. SIMSCI provides the most thorough service capabilities
and advanced process modeling technologies available to the pro-
cess industries. SIMSCI’s comprehensive support around the world,
allied with its training seminars for every user level, is aimed solely
at making your use of DATACON 3.1 the most efficient and effec-
tive that it can be.

SIMSCI is an Invensys company and a member of the Invensys

Intelligent Automation division. Invensys is one of the United
Kingdom’s largest engineering companies. Other major member
companies in the Intelligent Automation Division are: The Foxboro
Company, whose products include control valves, field instrumenta-
tion, control software and engineering services; APV, a leader in
food and beverage automation; Eurotherm, a world leader in tem-
perature controls; Wonderware, a developer of human-machine
interface (HMI) software for industrial and process automation;
Siebe Environmental Controls, specializing in controlling building
environments; and Siebe Instrument & Valve, specializing in indus-
trial automation. Siebe Intelligent Automation manufacturing facili-
ties are located in North America, the United Kingdom, Europe,
China and the Far East, with engineering centers and sales offices
worldwide.

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xiv Introduction
 Where to Find Additional Help
Online Documentation
DATACON 3.1 online documentation is provided in the form of
.PDF files that are most conveniently viewed using Adobe Acrobat
Reader 3.0 or Acrobat Exchange 3.0. You can install Adobe Acro-
bat Reader 3.0 from the product CD, which requires 5 MB of disk
space beyond that required to for DATACON 3.1. Online manuals
are stored in the Manuals directory and they remain on the CD when
you install the program. To access these files, open the welcome.pdf
file in the Manuals directory.

Online Help
DATACON 3.1 comes with online Help, a comprehensive online ref-
erence tool that accesses information quickly. In Help, commands,
features, and data fields are explained in easy steps. Answers are
available instantly, online, while you work. You can access the elec-
tronic contents for Help by selecting Help/Contents from the menu
bar. Context-sensitive help is accessed using the F1 key or the
What’s This? button by placing the cursor in the area in question.

Technical Support
SIMSCI and its agents around the world provide technical support
and service for DATACON 3.1. If you have any questions regarding
the use of the program or the interpretation of output produced by
the program, contact your local SIMSCI representative for advice or
consultation.
When calling one of the Technical Support Centers, be prepared to
describe your problem or the type of assistance required. Also, to
expedite your call, complete the following steps before calling
Technical Support:

■ Have the installation CD and all provided documentation

available.
■ Determine the type of computer you are using.
■ Determine the amount of free disk space available on the disk
on which the product is installed.
■ Note the exact actions you were taking when the problem
occurred, as well as the steps you took leading up to that point.
■ Note the exact error messages that appear on your screen, as
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DATACON 3.1 User’s Guide xv
 Authorized SIMSCI Technical Support Centers
Support Center Address Tel/Fax/Internet
Western USA/Canada Simulation Sciences Inc. Tel: (800) SIMSCI-1
601 Valencia Ave., Suite 100 +1 (714) 579-0412
Brea, CA 92823-6346 Fax: +1 (714) 579-0354
E-mail: [email protected]
Internet: http://www.simsci.com
Mid USA/Virgin Islands Simulation Sciences Inc. Tel: (800) SIMSCI-1
2500 City West Blvd., Suite 1200 +1 (713) 683-1710
Houston, TX 77042-3029 Fax: +1 (713) 683-6613
Eastern USA/Canada Simulation Sciences Inc. Tel: (800) SIMSCI-1
7 Campus Blvd., Suite 101 +1 (610) 359-0801
Newtown Square, PA 19073 Fax: +1 (610) 359-0806
Europe SIMSCI Ltd. Tel: +(44) 161-429-6744
High Bank House, Exchange St. Fax: +(44) 161-480-9063
Stockport, Cheshire, SK3 OET, UK E-mail: [email protected]
Telex: 666127
Germany/Austria Simulation Sciences GmbH Tel: +(49) 621-12065-0
Willy-Brandt-Platz, 6 Fax: +(49) 621-12065-20
D-68161 Mannheim, Germany
Japan SIMSCI Japan K.K. Tel: +(81) 3-3432-4631
Halifax-Shiba Building 5F Fax: +(81) 3-3432-4633
1-3-10 Shibakoen E-mail: [email protected]
Minato-ku, Tokyo 105, Japan
South America SIMSCI Latinoamerica, C.A. Tel: +(58) 2-959-8033
Centro Banaven (Cubo Negro) +(58) 2-993-2506
Torre “A”, P.H. A-2 +(58) 2-993-8725
Av. La Estancia, Chuao Fax: +(58) 2-993-2717
Caracas, 1060, Venezuela E-mail: [email protected]
Brazil SIMSCI do Brazil Ltda. Tel: +(55) 21-532-2018
Torre Rio Sul +(55) 21-532-5473, ext.103
Rua Lauro Muller 116, Suite 1308 Fax: +(55) 21-543-2581
22290-160 Rio de Janeiro RJ, Brazil
Asia/Pacific Rim SIMSCI Asia Pacific Pte. Ltd. Tel: +(65) 224-6368
15 Hoe Chiang Road Fax: +(65) 224-6367
#15-02 Euro-Asia Centre
Singapore 089316
Middle East/Africa SIMSCI Middle East Ltd. Tel: +(971) 4-522502
National Bank of Umm Al-Qaiwain Bldg. Fax: +(971) 4-522350
Office No. 404 - 4th Floor
Khalid Bin Al-Waleed Road
Bur Dubai, Dubai
United Arab Emirates

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xvi Introduction
 Chapter 1
Using DATACON

This chapter describes how to start and exit DATACON and how to
open, save, close, delete, and copy reconciliation files. This chapter
outlines how to import a DATACON keyword file or export a flow-
sheet. The desktop working environment is also explored.

Starting DATACON
If you have not installed DATACON on your system, see the DATA-
CON Installation Guide.
To start DATACON:

➤ Double-click on the DATACON icon or launch from the Start

menu. The DATACON Welcome dialog box appears. This dia-
log box contains information on opening files and on the color
codes used in the program.
Figure 1-1: DATACON Welcome Dialog Box

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 ➤ Click OK to enter the DATACON program.

DATACON Main Window

The DATACON main window (PFD) is the main drawing board. On
the PFD you may place the following objects:

■ Unit operations from the PFD palette

■ Stream connections

■ Text

■ Drawings

The DATACON main window is comprised of a PFD palette, a tool-

bar, and a menu bar, as well as title, status, and scroll bars. The PFD
palette displays the unit operations available for use in DATACON.
The menu bar provides the following menus: File, Edit, Input, Out-
put, Tools, Draw, View, Options, Window, and Help. The toolbar
provides pushbutton access to various menu options. The title bar
identifies the application and the name of the open file. Scroll bars
function as sliding scales for moving the flowsheet right or left, up
or down in the DATACON main window. The status bar displays
help, information and error messages for the active feature or
object.
Figure 1-2: DATACON Main Window

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 Working with On-Screen Color Coding Cues
DATACON provides the standard visual cue for menu items, toolbar
buttons, and entry fields that are currently unavailable or undefined.
You can customize the color coding by selecting Options/Colors…
from the menu bar.

Color Significance
Red Required data; actions or data required from the user.
Green Optional or default data.
Blue Data supplied by user.
Yellow Questionable data; a warning that the value supplied is
outside the normal range.
Gray Data field not available to user.
Black Data entry not required.

Using the Floating Palettes

There are two floating palettes: PFD and Run. These palettes may
be displayed or hidden by selecting View/Palettes from the menu
bar.

Menu Item Description

View/Palettes/PFD This option displays the PFD palette containing unit
operations and streams.
View/Palettes/Run Allows running the reconciliation model and viewing
results.

Using the Toolbar Buttons

The main toolbar can be displayed in standard (full) or compact for-
mat. When displayed in standard format (View/Toolbar/Standard
from the menu bar), six groups of buttons are visible.

■ Viewport/Palette buttons

■ Data Entry window buttons

■ Go To buttons

■ Run buttons

■ View buttons

■ Help button
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 Toolbar buttons duplicate options available from the menus on the
menu bar.

Using the Multiple View and PFD Palette Buttons

These buttons enable you to open multiple views of a single flow-
sheet and hide or display the floating PFD palette.

Button Menu Item Description

View/New View Opens another viewport window of a single
reconciliation problem.

View/Palette/PFD Displays or hides the floating PFD palette.

Using the Data Entry Window Buttons

Each Data Entry Window button provides quick access to the main
data entry window for the selected section.

Button Menu Item Description

Input/Problem Describes the current reconciliation problem
Description and relates it to a specific project.

Input/Units of Measure Sets units of measure specific to this

reconciliation.

Input/Component Specifies the components for the current

Selection reconciliation.

Input/Component Allows you to modify component properties.

Properties

Input/Thermodynamic Selects thermodynamic methods for the

Data current reconciliation.

Input/Assay Modifies characterization options for

Characterization generating pseudocomponents from assays.

Input/Reaction Data Defines reactions as well as heat of reaction,

equilibrium, or kinetic data for reaction sets.

Input/Specification Allows you to enter generalized

Data specifications.

Input/Tag Data Allows you to add or modify tag data and

reject bad data.

File/Import/Tag Data Allows you to import files containing tag data.

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 Button Menu Item Description
File/Import/Server Allows DATACON to interface directly with
plant data historians.

Using Go To Buttons
The Go To buttons enable you to jump to a selected unit or stream.

Button Menu Item Description

View/Pan View Allows quick panning through the entire
flowsheet.

View/Unit List Displays a list of units in the current PFD,

allowing you to jump directly to that unit.

View/Stream List Displays a list of streams in the current PFD,

allowing you to jump directly to that stream.

Using Run/Results Buttons

The Run/Results buttons allow you to run or stop a reconciliation
problem.These buttons also duplicate functions on the Run floating
palette.

Button Menu Item Description

— Runs the reconciliation.

— Stops the reconciliation.

Using Delete and View Buttons

DATACON provides a Delete button and a set of View buttons on
the toolbar that facilitate editing and viewing the flowsheet. These
buttons duplicate items available on the Edit and View menus.

Button Menu Item Description

Edit/Delete or <Delete> Deletes the currently selected object(s) from the
flowsheet.

View/Zoom/Zoom In, Zooms in or out of the flowsheet.

Zoom Out

View/Zoom/Zoom Full Displays the entire flowsheet in the PFD window.

or <Home>

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 Button Menu Item Description
View/ Zoom/Zoom AreaDisplays the selection rectangle used to zoom in
on a selected area of the PFD.

View/Zoom/Redraw or Clears the PFD of any extraneous object by

<Shift+Home> redrawing the flowsheet.

Using the Help Button

The What’s This? Help button displays context-sensitive help.

Button Menu Item Description

Help/What Is... Displays help for the object you point to.

Using Data Entry Windows

Most main data entry windows provide Help , Overview , and
Status buttons that enable you. to access different levels of help
text. In addition, some main data entry windows (and some subordi-
nate windows) provide UOM , Tag , and Range buttons. Grayed
buttons indicate that the feature is not currently available.

Button Description
Displays context sensitive help for the active data entry field,
or for the dialog box itself (if there is no active field).
Displays the main help dialog box for the data entry window.

Displays the results of the data consistency checks

performed for the main dialog box.
Selects a units of measure set for the selected data entry
field.
References one stream or unit parameter value to another
stream or unit parameter.
Displays the valid range of values for the active data entry
field.

Managing DATACON Files

This section describes how to open, save, close, delete and copy
reconciliation files. In addition, this section outlines how to import
a DATACON keyword input file or export a flowsheet.

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 Opening a New Reconciliation File
When you start DATACON, the program does not automatically
bring up a new, untitled reconciliation.

Note: If you want DATACON always open with a new reconcilia-

tion, select Options/New File on Startup from the menu bar.

To open a new file:

➤ Choose File/New... from the menu bar. DATACON clears the
main window for a new reconciliation and opens the initial
viewport window, View 1.

Opening an Existing Reconciliation File

You can open any previously saved reconciliation for modification,
viewing, or printing. DATACON opens the flowsheet file and its
supporting database files.

To open an existing file:

➤ Choose File/Open... from the menu bar. DATACON displays

the Open Simulation dialog box.
➤ Type or select the name of the reconciliation file.
➤ Choose OK or press <Enter>. DATACON displays the recon-
ciliation in the PFD.

Saving the Current Reconciliation

Remember to save the reconciliation file before you close it. You may
also want to save the reconciliation periodically while creating it.

To save the current reconciliation file:

➤ Choose File/Save from the menu bar. If you have not previously
saved this reconciliation, DATACON displays the Save As dia-
log box.
➤ Type a name for this reconciliation.
➤ Choose OK or press <Enter>.

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 Saving a Reconciliation to Another Name
If you’ve made changes to an existing reconciliation file and you
don’t want to alter the original reconciliation, but do want to keep
the changes, use the Save As option. You can save a reconciliation
to another name. Changes you made to the reconciliation since the
last save are saved as part of the reconciliation under its new name.

To save the current reconciliation to another file name:

➤ Choose File/Save As... from the menu bar.

DATACON prompts you for a new file name.
➤ Type a name for the new (changed) reconciliation.
➤ Choose OK . DATACON appends a .DC1 extension to the file-
name.

Closing a Reconciliation File

You should save a reconciliation before closing it, although DATA-
CON will prompt you to save changes for an existing reconciliation.
To close a reconciliation file:

➤ Choose File/Close from the menu bar.

If you close a reconciliation without first saving the reconciliation
files, you lose any changes you have made to the reconciliation
since the last save.

Deleting a Reconciliation File

You can delete any reconciliation except the current (active) recon-
ciliation at any time.
To delete a reconciliation file:

➤ Choose File/Delete... from the menu bar. DATACON displays a

list of existing DATACON reconciliation files.
➤ Type or select the name of the file you want to delete.
➤ Click OK . DATACON deletes all files associated with this
reconciliation.

Copying a Reconciliation File

You can copy all files associated with a reconciliation (one flow-
sheet and three database files) to a target reconciliation you name.
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 You can copy to new or existing files. If you copy to an existing file,
DATACON verifies that you want to overwrite the existing file.

To copy a reconciliation file:

➤ Choose File/Copy... from the menu bar.

➤ Select the name of the file you want to copy from the file selec-
tor. (You cannot copy the current reconciliation.)
➤ Enter a name for the copy (target) file.
➤ Choose OK or press <Enter>. DATACON copies all files
associated with the reconciliation.

Importing a DATACON Keyword File

You can import an existing DATACON keyword file into the DATA-
CON graphical user interface, and then execute the reconciliation
problem as if you had entered the problem using the PFD graphical
main window. DATACON automatically converts the specified key-
word input file into a flowsheet and displays it in the PFD window.
When you import an input file, the tag data file is automatically
imported.
To import a DATACON keyword file:

➤ Choose File/Import from the menu bar. DATACON displays a

list of existing keyword input files.
➤ Type or select the name of the keyword file you want to import.
➤ Choose OK or press <Enter>.
DATACON converts the selected keyword input file into a flow-
sheet and displays it in the PFD automatically.

Importing a Tag Data File

To import a tag data file:

➤ Choose File/Import/Tag Data from the menu bar.

➤ Type or select the name of the tag file you want to import.
➤ Choose OK or press <Enter>.
DATACON displays the Import Tag Data dialog box. Enter the path
and name of the tag file to import or click Browse... to select a tag
file.

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 Figure 1-3: Importing Tag Files

Exporting Reconciliation Data

You can export an existing DATACON reconciliation flowsheet to a
keyword input file or tag data file, and then transfer the ASCII input
file to another computer or archive the data.

➤ Choose File/Export from the menu bar. The Export dialog box
appears which lists the data export options.
Figure 1-4: Available Data Export Options

➤ Choose the Simulation Data to Keyword File option to export to

a keyword input file and raw data file.
Choose the Tag Data to RAW file option to export to a tag data
file.

Choose Tag Data to Server to export tag data to the selected

dataserver.

➤ Click OK .
DATACON converts the current reconciliation flowsheet data into a
DATACON keyword input file in ASCII format. The name of the
keyword file will be YYY.INP, and the name of the tag data file will
be YYY.RAW, where YYY.DC1 is the name of the reconciliation flow-
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 sheet DATACON database file. The Simulation Data to Keyword
File option exports both .INP and .RAW files in the same session.

Exporting the Flowsheet Drawing

You can export part or all of the flowsheet drawing to the Clipboard.
You can then paste this drawing into another Windows applications.

To export the entire flowsheet drawing to the Clipboard:

➤ Select File/Export from the menu bar.

➤ Choose the Flowsheet Drawing option and click OK .
To export one page of the flowsheet to the Clipboard:
➤ Select the page to export by clicking on its edge on the PFD,
then select File/Export from the menu bar.
➤ Choose the Selected Page of Flowsheet Drawing option and
click OK .
To export the flowsheet drawing as an AutoCAD .DXF or Encap-
sulated PostScript (.EPS) file:

➤ Select File/Export from the menu bar.

➤ Choose the Flowsheet to AutoCAD .DXF or Flowsheet to Post-
Script option and click OK . The Save As dialog box appears.
➤ Enter a name for the .DXF or .EPS file.

DATACON Program Files

There may be as many as 16 separate files associated with a single
reconciliation problem. These are described in Table 1-1.
Table 1-1: DATACON Simulation Files
File Extension Description
*.dc1, *.dc2, *.dc3 DATACON database files
*.sfd Graphics file
*.out Main output file
*.ot1 Component, calculation sequence, recycle
loops/streams output data
*.ot3 Equipment/streams output data
*.sr1 Input source listing
*.ix3 Output index
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 Table 1-1: DATACON Simulation Files
File Extension Description
*.hs2 Calculation history
*.inp Keyword input file
*.raw Raw tag data file
*.man Bad tag data file
*.adj Reconciled and calculated values output file
*.zfl Gross error measurements file
*.err Error elimination results file
*.plt Plots saved in the plot display dialog box
*.clp Graphics saved in Clipboard format
*.prc Temporary procedure file created and removed
by DATACON. Only remains if there is an
abnormal termination.

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1-12 Using DATACON
 Chapter 2
Data Reconciliation Basics

This chapter provides a quick overview of the use of DATACON for

solving engineering problems. A suggested basic approach is given,
as well as helpful explanations of the information flow in DATA-
CON. Sample data entry windows are given to illustrate data entry.
A step-by-step example is provided in the Chapter 3, Tutorial, of
this guide.

Defining the Scope of the Reconciliation

Problem data can be supplied in almost any order: DATACON
warns you when required data is missing. However, it is still best to
follow a logical path when supplying reconciliation data. For exam-
ple, some options such as stream compositions are dependent upon
the components selected.
For these reasons, the following approach is recommended when
building a reconciliation flowsheet.

General Approach
➤ Define the units of measurement.
➤ Select the components.
➤ Select thermodynamic method.
➤ Build the flowsheet.
➤ Supply the operating conditions.
➤ Run the reconciliation.
➤ Analyze the results.

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 Defining the Input Units of Measure
Every model application has a specific units of measure set. The
three general sets of dimension provided within DATACON are:

■ English

■ Metric

■ SI

Your choice of a units of measure set impacts the data entry for
component, assay, and unit operation data.

The default units of measure (UOM) for all DATACON reconcilia-

tions is the English set. In some cases, it may not be necessary to
redefine the input UOM. However in cases where most, or all, of the
input data is given in Metric or SI units, your UOM choice will
allow you to enter the data as is, without having to do manual calcu-
lations.

Selecting the Components

It is best to order the components in volatility order, starting with
the lightest component. This makes it easy to analyze the separa-
tions which occur in unit operations such as distillation. While not a
necessity, for hydrocarbon/water systems, defining water as the first
component is also a good idea. This makes it easy to see the break
between the aqueous and non-aqueous phases. User-defined petro-
leum pseudocomponents for which you supply data should be
entered. Petroleum pseudocomponents generated by DATACON
from petroleum stream assay data will appear last in the compo-
nents list of the output reports.
To define the components, select Input/Component Selection from
the menu bar or click the Component Selection button on the tool-
bar. This will open the Component Selection dialog box. Note that
the icon with a red border indicates that components have not yet
been defined.
Library components for which the library access names are known
may be directly typed into this dialog box, where they are trans-
ferred to the List of Selected Components for the problem. A conve-
nient search procedure is also provided which may be used by
clicking Select from Lists… . Petroleum (PETRO) components are
defined in the Petroleum Components dialog box which is accessed
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 in the User-defined dialog box which is accessed by clicking
User-defined… .

Note that petroleum pseudocomponents defined by DATACON

from petroleum stream assay data do not appear in the Component
Selection main dialog box.

Modifying Component Properties

DATACON allows you to modify fixed component properties or use
the Fill from Structures feature to fill in missing component data for
library or user-defined components. To modify component proper-
ties, click the Component Properties button on the toolbar, or select
Input/Component Properties from the menu bar.

Choosing the Thermodynamic Method

For many problems, a system may be selected from the Most Com-
monly Used thermodynamic methods. Guidelines for thermody-
namic methods are provided in the DATACON online help. Further
assistance is available through SIMSCI Technical Support. Select-
ing a proper thermodynamic method is a critically important step in
the solution of a reconciliation problem.
Since it is not possible to develop a single thermodynamic method
to model all chemicals under all conditions, DATACON uses sev-
eral different models. Each works well in some situations and less
well in others. It is up to you to select the most appropriate methods
for your particular flowsheet. Polar components at high pressure
should not be modeled with a thermodynamic method that was
designed to model low-pressure hydrocarbons. Just because a com-
puter reports convergence to great precision does not mean you
should believe that the answers accurately model your actual pro-
cess. Use your experience and engineering judgment to check that
results are reasonable.

Thermodynamic Methods
Thermodynamic methods are defined in the Thermodynamic Data
main window which is reached by clicking on the Thermodynamic
button on the toolbar or by selecting Input/Thermodynamic Data
from the menu bar. Note that this icon is initially outlined in red,
indicating that thermodynamic methods must be defined for the
problem.

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 For most problems, a predefined set of thermodynamic methods for
calculating K-values, enthalpies, entropies, and densities may be
used. DATACON offers numerous Categories of method sets. After
a category has been selected, you may select a method set within
that category as a Defined System for the problem and modify it by
clicking Modify… to access the Thermodynamic System-Modifica-
tion dialog box. Note that transport property calculations are not
included in the predefined method sets. If they are required for the
problem, you must add them to the predefined thermodynamic
method set in this dialog box.

Assay Data
You can modify the data obtained from the selected Assay Set. To
select assay data for this reconciliation, click the Assay Character-
ization button on the toolbar, or select Input/Assay Characterization
from the menu bar. DATACON always supplies the Primary TBP
Cutpoint set. You can modify the primary set or define a new cut-
point set or set characterization options.

Reaction Data
You use this option to define reactions and enter heat of reaction,
equilibrium, or kinetic data for reaction data sets. To specify reac-
tion data sets for this reconciliation, click the Reaction Data button
on the toolbar, or select Input/Reaction Data from the menu bar.

Building the Flowsheet

Unit Operations
Use the floating PFD palette to begin building the flowsheet. The
icons and names for the unit operations appear as buttons on the
PFD palette. To add a unit operation to the flowsheet, click the unit
icon on the PFD palette and click-drop it at the desired location on
the flowsheet. DATACON automatically assigns a unit identifier to
each unit operation as it is added to the flowsheet.

Streams
Streams are the connectors for the process calculations, with infor-
mation passed from one unit operation to another via the process
streams. Click the Streams button on the top of the floating PFD
palette. The PFD is now in stream mode and a S is attached to the
cursor. You will notice that all possible (inlet and outlet) ports for
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 each unit operation are now marked. Required ports are colored in
red; green is used to mark optional ports.

To add a stream, click the left mouse button at the point of origin for
the stream, and then click again at the desired terminus, whether it
be a port or an unoccupied portion of the PFD. A stream identifier is
automatically assigned to each stream as it is added to the PFD.

As soon as a valid flowsheet has been built, the red border around
the Streams button on the PFD palette changes to blue. A flow-
sheet is valid when all required inlet, outlet, and connector streams
have been added for all the process units.

Supplying the Operating Conditions

Now that the flowsheet has been built, you must supply the required
data for the calculations. This includes defining the components and
thermodynamic methods, supplying the stream data, and specifying
the operating conditions for the unit operations.

Stream Information
The identifiers for feed streams requiring input data are marked
with red borders indicating that information is missing. Stream
information is supplied in the Stream Data main data entry window
which is reached by double-clicking a stream identifier. The pre-
defined stream identifier may also be changed in this dialog box.

Three types of information must be supplied in this dialog box: the

thermal condition of the stream, the flowrate for the stream, and the
composition of the stream. For petroleum assay streams, the assay
data are provided instead of the composition data, and DATACON
defines the stream composition for you in terms of petroleum
pseudocomponents.

For feed streams, you must supply thermal conditions, flowrates,

and compositions for all external feed streams to the flowsheet. It is
usually desirable, although not necessary, to provide estimated data
for recycle streams to speed convergence of recycle calculations.

Unit Operations
Unit operation identifiers for which data entries are needed are
marked with red borders. To enter information for a unit operation,
double-click its icon to retrieve the Unit data entry window.
Required information is always bordered in red; data entry fields for
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 items with supplied defaults are always bordered in green. After
you have supplied information in a data entry field, the border color
changes to blue. Information you have supplied which lies outside
the normal range for the field is marked with a yellow border.

You can also change the default unit identifier in this dialog box and
furnish a longer, more descriptive name for the unit operation.
Notice that when you return to the flowsheet, the unit identifier on
the PFD has a black instead of red border, signifying that all data
entry requirements are satisfied. If the border is still red, you must
return to the data entry window for the unit operation and supply the
missing data.

Double-click the icon for each unit operation to access the data
entry windows. The color codes tell you what data you must supply
and what data have default values. You can also use the online help
to learn more about the calculation options, data entry items, etc.,
for each unit operation.

A quick review is also a good idea at this point. Do the thermody-

namic methods support the unit operation calculations? Have all the
general specifications for the process been defined?

Tags for the Measured or Estimated Process Variables

You can specify tag names and standard deviations for measured or
estimated process variables via the data entry windows. Tags may
be given for temperature, pressure, and duty parameters. You can
modify tag data previously entered by clicking Tag Modification .
Alternately, you can import a tag data file by clicking
Import Tag Data .

You can also associate calculated results from the Calculator with
tag values. Tags can be set to the calculated values, then used in the
flowsheet and updated by the Calculator during solution. This pro-
vides a means to incorporate pressure drop calculations, exchanger
efficiencies, compressor/turbine performance into the reconciliation
model.

Generalized Specifications
You can enter generalized specifications for process units or
streams in the flowsheet by clicking Generalized Specifications .

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 Miscellaneous Data
Miscellaneous data categories include problem descriptive informa-
tion, calculation options, standard deviations/tolerances, instrument
design data, and printout options.
Problem descriptive information is optional; however, it can be ben-
eficial to document a simulation model for future users. This infor-
mation includes a project name, problem name, user name, date,
site, and problem description. This information is supplied in the
Problem Descriptive Information dialog box, which is accessed by
clicking the Problem Description button on the toolbar or by select-
ing Input/Problem Description from the menu bar.

Calculation options include the unit and material balance methods,

number of calculation iterations, stream composition basis, bounds
on variables, and error elimination options. This information is sup-
plied in the Calculation Options dialog box, which is reached by
selecting Input/Calculations Options from the menu bar.
Standard deviations and tolerances may be assigned globally via the
Standard Deviations/Tolerances dialog box, which is reached by
choosing Deviations/Tolerances from the Input menu.

Instrument design case information is supplied in the Instrument

Design dialog box, which is accessed by selecting Input/Instrument
Design from the menu bar.
Print options for flowsheet results may be chosen on the Print
Options dialog box. To access this dialog box, click Output/Report
Format/Print Options.

Color Indicators
Default Data
To simplify data input, DATACON supplies default options and val-
ues wherever practical. Default values supplied by DATACON are
printed in black in a data entry field with a green border, or in the
case of linked text, in green. Required entries are indicated with a
color red because they have no default values.

While you do not need to replace a default entry to satisfy the input
requirement for DATACON, default data should be inspected care-
fully to ascertain that they meet your requirements. When you
replace a default value, the border color for the data entry field
changes to blue, indicating that you have supplied this value. For
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 linked-text strings, the color of the linked text is also changed to
blue, indicating that you have replaced the default value.

Optional Data
Optional data, which are displayed in black, are data or options not
specifically necessary for the unit operations to proceed. For exam-
ple, the Description entry is optional for all unit operations.
Data options which do not apply to a particular combination of
input data appear in the color gray, and are not available for data
entry.

Running the Process Reconciliation

DATACON lets you know by color code when sufficient informa-
tion has been supplied to perform the calculations. When all of the
borders on the toolbar icons have changed from red (indicating
missing data) to green or blue, you are ready to run your reconcilia-
tion. At this point, click the Run button on the toolbar or the Run
button on the floating Run palette to begin the flowsheet
calculations.

Analyzing the Reconciliation Results

The output generated by a successful run of DATACON is distrib-
uted over different files each containing a specific type of informa-
tion. The main portion of the output with all details is contained in
the *.OUT file. A summary of all reconciled measured values and
calculated unmeasured values is provided in the *.ADJ file. When
the automatic error elimination option is invoked a *.ERR file is cre-
ated which contains information about eliminated measurements. A
*.ZFL file contains information about measurements which were
found to be in gross error based on the measurement test.

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2-8
 Chapter 3
Tutorial

This chapter presents a DATACON tutorial problem that involves

the data reconciliation of a flowsheet consisting of four units—two
splitters and two mixers.

Problem Description
The process flowsheet for this session is shown in Figure 3-1.
Figure 3-1: Mass Balance Problem

Assume that streams S7 and S8 are unmeasured and that streams S1

and S3 are measured with a standard error of 1%; streams S2, S5
and S6 are measured with an error of 2% and stream 4 is only
approximately measured and has an assumed error of 5%.

The third item needed to complete the definition of this problem is

the actual measurement values. These along with the model equa-
tions and assumed measurement errors completely specifies the
problem. The measured values are shown in Table 3-1.

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 Table 3-1: Stream Flowrate Measurements
i Fi σi
S1 100.1 1%
S2 41.1 2%
S3 78.0 1%
S4 30.6 5%
S5 106.3 2%
S6 19.8 2%
S7 — —
S8 — —

Use the steps outlined in Chapter 2, Data Reconciliation Basics, as

a guide for building the reconciliation.
Begin this tutorial by first opening DATACON.

To open a new project in DATACON:

➤ Select DATACON from the Start/Programs/SIMSCI menu on

the task bar.
➤ Click OK on the Welcome screen.
➤ Select File/New from the menu bar to start a new project.
Figure 3-2: DATACON Process Flow Diagram (PFD)

A View 1 window appears for laying down your process flowsheet,

along with the floating PFD palette for adding streams and units.
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 Selecting the Components
Components are maintained in the extensive DATACON component
databanks. It is required that at least one component is defined. For
simplicity, we chose water with ideal thermodynamics.
To define the component list:

➤ Click the Component Selection toolbar button outlined in red,

or select Input/Component Selection... from the menu bar.
➤ Type in the component WATER as shown in Figure 3-3.
Figure 3-3: Component Selection

➤ Click Add -> to move this component to the List of Selected

Components as shown in Figure 3-4.
Figure 3-4: Component Selection Dialog Box - Water Added

➤ Since there are no red-bordered fields indicating additional

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 Defining the Thermodynamic Method
DATACON allows you to select from a list of common thermody-
namic methods, generalized correlations, liquid activity methods,
special packages, user-added, or equation of state methods. The
method used in this example to calculate K-values and liquid and
vapor phase enthalpies is the IDEAL method. DATACON allows
you to specify predefined systems of thermodynamic calculation
methods. For example, the predefined Ideal thermodynamic system
uses the Ideal method to calculate K-values, liquid and vapor phase
enthalpies and entropies, vapor phase densities, and liquid densities.

To select the thermodynamic method:

➤ Click the Thermodynamic Data button on the toolbar, or select

Input/Thermodynamic Data... from the menu bar.
➤ From the Category list, select the Most Commonly Used option.
➤ Select the Ideal thermodynamic system from the Primary
Method list, as shown in Figure 3-5.
Figure 3-5: Defining Thermodynamic Methods

➤ Click Add -> to define the thermodynamic calculation method

for the system (Figure 3-6).

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 Figure 3-6: Thermodynamic Data Entry Dialog Box

➤ Click OK to save the changes.

Building the Flowsheet

Now that the components have been selected and the thermody-
namic method defined, it is time to build the process flowsheet by
laying down each process unit and stream one by one on the PFD.

Adding Process Units

The flowsheet is comprised of two mixers and two splitters. Using
Figure 3-7 as a guide, place each unit on the PFD by clicking on the
appropriate icon on the floating PFD palette and then clicking again
at the location on the PFD where the unit is to be placed.
Figure 3-7: Process Units on the PFD

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 Adding Process Streams
Streams mode is used to lay out the connections between units and
feed and product streams. The product ports for each unit automati-
cally appear when you depress the Streams button. Required
product ports are red, while optional product ports are green. For
some unit operations, an entire side of the unit will be red or green
denoting multiple connections to that port.

To add process streams:

➤ Click Streams on the floating PFD palette. You are now able
to add streams to your flowsheet (note the different cursor, an
arrow with an attached).
➤ Use Figure 3-1 as a guide when adding streams to the PFD.
➤ Add streams by clicking at the origin of the stream (either a
unit exit port or, for an external feed stream, on an unoccupied
part of the PFD), then clicking again at the destination of the
stream.
Notice that while each stream is being placed on the PFD, all
valid inlet entry ports only appear, and are colored red.

➤ Continue until all streams have been added to the PFD as

shown in Figure 3-8.
Figure 3-8: Process Units and Streams on the PFD

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 ➤ Click Streams again, right-click, or press the <Esc> key to
exit the Streams mode.
By default, the names of the process units and streams are automat-
ically assigned by the program based on the global format you have
already defined, e.g., S1, for the feed stream, SP1 for the first split-
ter unit, and so on.

At this point it is worth noting the way unsatisfied data are indicated
on the PFD. Units that have unsatisfied internal data (none on this
flowsheet at this point) have red identification strings. Streams have
black identification strings.
By default, DATACON assumes that all streams are non-composi-
tional, that is, no additional data are required; however, you will be
specifying that all streams are compositional, and you must supply
temperature, pressure, and flowrates in all data stream dialog boxes.

It is a good idea to save the data and flowsheet entered so far, and
give the session a name.

➤ Select the File/Save As... from the menu bar.

➤ Supply a name for the reconciliation data file by typing
TUTORIAL and click OK to save the file.

Importing the Raw Tag Data

The data must first be imported into the DATACON reconciliation
before the tags are assigned to the appropriate streams.
To import a tag data file:

➤ Click the Import Tag Data button on the toolbar or select

Import/Tag Data from the File menu.
➤ Click Browse... , locate the TUTORIAL.RAW file and click
OK . The DATACON Import Tag Data dialog box should
appear as shown in Figure 3-9.
Figure 3-9: Import Tag Data Dialog Box

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 ➤ Click OK .

Specifying the Process Stream Data

You may begin with any stream. There is no particular order neces-
sary. Begin by specifying the feed stream to the first splitter unit,
SP1.

Stream Conditions and Tag Data

Each stream is defined with a temperature, pressure and composi-
tion. The actual measured value is given in the raw data file with the
tag identification. The rates given here are only estimates. The accu-
racy of measurement is given by the relative standard deviation.

The temperature and pressure conditions for all streams are 65°F
and 15 psia. The remaining stream conditions are shown in
Table 3-2.
Table 3-2: Stream Conditions and Tag Data
Stream ID Rate (lbm/hr) Rate Tag Rate Standard
Deviation
S1 FC001 0.01
S2 FC002 Default
S3 FC003 0.01
S4 FC004 0.05
S5 FC005 Default
S6 FC006 Default
S7 50 Default
S8 40 Default

To enter stream data:

➤ Select stream S1 by double-clicking on the stream identifier.
The Stream Data dialog box appears.
➤ Optionally, you may enter the description FEED1 for this
stream.
➤ Click in the Temperature data field and enter a value of 65.
➤ Click in the Pressure data entry field and enter a value of 15.

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 Figure 3-10: Stream Data Dialog Box

➤ Click the Composition Defined radio button.

Data must be entered in the red-bordered data entry fields.

➤ Click Flowrate and Composition... . The Flowrate and Compo-

sition dialog box appears.
Figure 3-11: Stream Data - Flowrate and Composition Dialog Box

➤ Click the Individual Composition radio button, then click Tag

on the top of the dialog box to bring up the Tag Selection dialog
box (Figure 3-12).
➤ Check the Use Tag box at the top of the dialog box.
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 ➤ Select FC001 from the list in the Tag Name field.
➤ Choose Relative in the Standard Deviation field and enter a
value of 0.01.
The completed Tag Selection dialog box for stream S1 is shown in
Figure 3-12.
Figure 3-12: Tag Selection Dialog Box

➤ Click OK to save the changes.

➤ Specify the stream composition by entering 100 for WATER in
the Composition Mole field as shown in Figure 3-13.
Figure 3-13: Stream Data-Flowrate and Composition Dialog Box

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 ➤ Click OK to return to the main Stream Data dialog box.
➤ Click OK to save the changes and return to the main PFD.
➤ Repeat these steps for the other streams using the data in
Table 3-2.

Specifying the Calculation Options and Standard Deviations

In this example, the calculations are performed on a mass balance
basis and only a material balance is satisfied. The equations in the
model are determined by the stream connectivity of the unit opera-
tions.

To specify the global calculation options:

➤ Select Input/Calculation Options from the menu bar to bring up

the Calculation Options dialog box.
➤ In the Material Balance Basis drop-down list, select Mass.
➤ In the Unit Balance Method drop-down list, select Material.
Figure 3-14: Calculation Options Dialog Box

➤ Click OK to continue.
The default gross error options (The Error Detection method is
Measurement Z-test; the Error Elimination method is Manual) are
acceptable.

To specify the global standard deviations:

➤ Click Input/Deviations/Tolerances on the menu bar to bring up

the Standard Deviation/Tolerance data entry window.
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 ➤ Enter a value of 0.02 in the Flow Rate data entry field for Stan-
dard Deviation as shown in Figure 3-15.
Figure 3-15: Standard Deviation/Tolerance Dialog Box

➤ Click OK to continue.

Setting the Print Options

DATACON provides numerous print options. For this tutorial, we
are especially interested in reviewing the results contained in the
Stream, Unit, Error Analysis and Error Propagation reports.

To specify the print options for the output report:

➤ Select Report Format/Print Options from the Output menu to

bring up the Print Options dialog box.
➤ In addition to the default reports, click the boxes next to the
Error Analysis and Error Propagation reports and click OK .
Figure 3-16: Print Options Dialog Box

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 Running the Reconciliation
Once you have built the flowsheet and entered all required data, you
can run the reconciliation.

To run the reconciliation:

➤ Click the Run button to check the data and run the reconcilia-
tion in a single step.
If there are any errors or warnings, and the Run palette is not
already in view, DATACON displays the palette and outlines the
Status button in red.

In a few seconds, you are ready to review the results.

Analyzing the Output

In this section you will learn how to use the tools available in
DATACON to produce output for use in reports. The following
options are available:

■ Viewing the output file.

■ Displaying stream properties on the PFD.

■ Cutting and pasting the flowsheet PFD into your report.

Output File
One of the easiest ways to view the complete set of output data is
through the output (.OUT) file. This file is automatically generated
after the reconciliation is finished running. It automatically appears
in a Programmer’s File Editor window.

Displaying Stream Properties on the PFD

Stream properties can be displayed in various forms on the PFD.

To display stream properties on the PFD for individual streams:

➤ Select a stream.
➤ Right-click and choose Display... from the menu. The Stream
Style dialog box appears.
➤ Select stream Properties from the Stream Label Type drop-
down list.

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 The default property list is the Material Balance List, which dis-
plays the stream name, the temperature, the pressure, and the flow-
rate of the stream.

Figure 3-17: PFD with Stream Property Labels

Note: To change all the stream labels at once, click the Zoom
Area toolbar button and draw a selection rectangle around the
entire flowsheet. With all the units and streams highlighted, select
Display... from the right-click menu and make the appropriate
changes.

Exporting the PFD to the Windows Clipboard

You have the option to copy the PFD to the Windows clipboard for
ease of report implementation. From the clipboard, you can simply
paste the drawing in any word-processing or report-writing pro-
gram, such as Microsoft Word.
To export the PFD:

➤ Choose File/Export from the menu bar.

➤ Click the radio button for Flowsheet Drawing and click OK .

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 Chapter 4
Global Defaults

This chapter describes the various defaults that may apply to your
simulation on a global, simulation, or unit level. DATACON enables
you to set global defaults for problem descriptions information,
units of measure and thermodynamic systems. These global
defaults apply to all reconciliations unless you specifically override
them either for a particular reconciliation or unit operation.
On a reconciliation level, you can set problem-specific input and
output units of measure defaults. Problem-level settings override
global defaults. In addition, you can change units of measure set-
tings for a specific unit. This setting overrides both reconciliation
and global defaults.

Entering a Problem Description

Problem Description Information (Project Identifier, Problem Iden-
tifier, User Name, Date, Site) appears on each page of a results
printout as a heading and the Problem Description itself appears on
the first page. All reconciliations use the global problem descriptive
information unless you override the defaults for a particular
reconciliation.

To set problem description global defaults:

➤ Choose Options/Simulation Defaults from the menu bar.

➤ Choose Problem Description. The Global Default for Problem
Descriptive Information dialog box appears.

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 Figure 4-1: Global Default for Problem Descriptive Information

➤ Enter comments and descriptions as you like.

➤ Click OK .

Reconciliation Level
Before building a flowsheet, you might want to update the reconcil-
iation problem description for this reconciliation. DATACON uses
the global defaults for all reconciliations unless you specifically
override the data for a particular reconciliation.

To override the default problem definition:

➤ Click the Problem Description button or choose Input/Problem

Description from the menu bar. The Problem Descriptive Infor-
mation dialog box appears.
Figure 4-2: Problem Descriptive Information Dialog Box

You can enter up to ten problem description lines (80 characters

each), that will appear on the first page of a results printout.

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 Setting the Units of Measure
Units of measure can be set globally, on a reconciliation level or on
a unit/stream level. A reconciliation setting overrides the global
defaults. A unit setting overrides both reconciliation and global
defaults.

Global Defaults
By default, DATACON uses the English units of measure set for all
input data and for output reports. These defaults apply to all new
reconciliations. You can override the default set for either input data
or output reports (or both) for all new reconciliations. DATACON
maintains a library of units of measure sets that you can select from
and add to.
To set the unit of measure global defaults:

➤ Select Options/Simulation Defaults from the menu bar.

➤ Choose Units of Measure. The Default Sets of Units of Measure
dialog box appears.
Figure 4-3: Global Units of Measure Sets

➤ Select the desired default units of measure set for entering rec-
onciliation data (the default is English units).
➤ Select the desired default units of measure set for generating
the first output report. The default choice is Same as Input, i.e.,
the first output report will be printed in the default English
units.
If any choice other than the default is selected, the second out-
put report will no longer be available, and the list for selecting
the alternate units of measure set for the second output report
will be disabled.

➤ Select the desired default units of measure set for generating

the second output report. The default choice is None, i.e., no
second output report in alternate units will be generated.
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 Reconciliation Level
You can override the global set of default units of measure for a par-
ticular reconciliation problem through the Default Units of Measure
for Problem Data Input dialog box.
To set the units of measure for the current reconciliation:

➤ Click the Input Units of Measure button or choose Input/Units

of Measure from the menu bar. The Default Units of Measure
for Problem Data Input dialog box appears.
Figure 4-4: Default Units of Measure for Problem Data Input Dialog Box

➤ Select different dimensional units for data input for each indi-
vidual category or choose Initialize from UOM Library... to
automatically fill in the defaults from another set.
➤ Click Standard Vapor Conditions... to enter the Problem Stan-
dard Vapor Conditions dialog box. The default temperature and
pressure bases are shown in data entry fields and can be
replaced or the standard vapor volume per mole can be
replaced, but not both. DATACON default values are as
follows:
Temperature Pressure Vapor Volume
English 60°F 14.696 psia 379.48 ft3/lbmol
Metric 0°C 1.0332 kg/cm2 22.414 m3/kgmol
SI 273.15 K 101.32 kpa 22.414 m3/kgmol

➤ Click TVP and RVP Conditions... to modify entries in the Prob-

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 Units of Measure Library
A library of dimensional unit sets which may be used for data entry
or report writing is maintained with this feature.

To add a new set to the library or to edit an existing set:

➤ Select Options/Units of Measure List from the menu bar.

The Units of Measure Library dialog box appears and may be used
to create, copy, edit, rename, and delete dimensional unit sets. The
Units of Measure Set Name and Description field lists the names of
the dimensional unit sets currently in the library. The program pro-
vides three initial dimensional unit sets—English (the default),
Metric, and SI.
Figure 4-5: Units of Measure Library

To create a new set:

➤ Click Create... . The Create Units of Measure Set dialog box

appears.
Figure 4-6: Create Units of Measure Set Dialog Box

➤ Supply a name for the new set in the data entry field provided.
➤ Select the basis for the set with the appropriate radio button—
English, Metric, or SI and click OK to continue.
The units for the standard dimensional unit sets in DATACON are
assigned to the new set and the edit feature can now be used to cus-
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 Note: An alternate way to create a new set is to highlight an exist-
ing set in the Units of Measure Set Name and Description list box
and click Copy . The name for the new set is then entered in the
Copy Units of Measure Set dialog box.
To delete, rename or edit a set:

➤ Select the set in the Units of Measure Set Name and Descrip-
tion field.
➤ Click Delete , Rename , or Edit on the Units of Measure
Library dialog box.

Setting the Thermodynamic System

DATACON provides a wide range of methods allowing you to
model a wide variety of process systems.

Global Defaults
By default, there is no global thermodynamic method, which means
you must select a thermodynamic method each time you open a new
reconciliation; unless, that is, you set a global default method.

To set the thermodynamic system global defaults:

➤ Choose Simulation Defaults/Thermodynamic System from the

Options menu. The Global Default Thermodynamic System
dialog box appears.
Figure 4-7: Global Default Thermodynamic System Dialog Box

➤ Check the box next to Specify Default Thermodynamic System

For All New Problems.
➤ Select the Category and the appropriate Primary Method and
click OK .

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 Note: This global default will not become effective until the next
time File/New is selected.

Reconciliation Level
To set the thermodynamic method for the current reconcilia-
tion:

➤ Click the Thermodynamic Data button on the toolbar or select

Input/Thermodynamic Data from the menu bar.
Refer to Chapter 7, Specifying Component, Thermodynamic, and
Stream Data for more information on selecting the appropriate ther-
modynamic method for your particular process.

Setting the Global Stream Rate Basis and Composition Basis

In most cases, measurement data are provided in mass units; how-
ever, the DATACON default is mole units. In previous versions of
DATACON, if you wanted to enter the measurement data for stream
rates in a weight (WT), liquid volume (LV) or gas volume (GV)
basis, you would have to change the stream rate basis units of mea-
surement for each and every stream on the PFD (i.e., double-click
on the stream, place the cursor in the stream rate field and click
UOM ). DATACON now allows you to set the stream rate basis
and composition basis globally, which will then used for all streams
on the PFD.

To set the stream rate basis and composition basis globally:

➤ Select Input/Calculation Options from the menu bar. The Cal-

culation Options dialog box appears.

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 Figure 4-8: Calculation Options

➤ Select from the Global Stream Rate Basis and Global Composi-
tion Basis listboxes, and click OK .
You cannot change the default Gross Error Options method glo-
bally. The method is reset to the program default with each new
reconciliation.

Setting General Drawing Defaults

You can change the appearance of your PFD through the General
Drawing Defaults dialog box. You can set the snap and move toler-
ances, zoom and pan increments, the PFD palette icon, icon fill, unit
snapping, and delete confirmation. The defaults, shown below in
Figure 4-9, are appropriate for most scenarios and you may never
need to make changes in this dialog box.

To make changes to the general drawing defaults:

➤ Choose Options/Drawing Defaults/General... from the menu

bar.

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 Figure 4-9: General Drawing Defaults Dialog Box

Unit Icon Palette

You can select the size of the unit icons on the PFD palette. The
default is large, which includes a descriptive label for each icon. A
small icon displays the graphic only.

Setting Zoom Increments

The default small zoom increment is 5 pixels and the default large
zoom increment is 20 pixels. You can change these incremental val-
ues by typing the desired value over the default Zoom Increments.

Setting Panning Sensitivity

The default small pan increment is 5 pixels and the default large pan
increment is 20 pixels. You can change these incremental values by
typing the desired value in the default Pan Increments field.

Miscellaneous

Fill Icons
By default this option is selected which means the unit icons are
filled with the default color. Deselecting this option causes the icons
to be displayed as outlines only.

Unit Snapping
By default, when connecting two units DATACON will adjust or
snap the unit icon positions to straighten the connecting stream. You
can turn grid snapping off by unchecking this option.

Changing Delete Confirmation

By default, DATACON prompts you to confirm each delete opera-
tion. To turn delete confirmation off, uncheck Confirm Deletes.
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 Setting Snap Tolerance
Snap Tolerance controls the incremental snap distance for any
object you place on the PFD. The default is 20 pixels. To change
snap tolerance, type the desired value in the Snap Tolerance field.

Setting Move Tolerance

Move Tolerance controls the incremental distance for any object
you move. The default is 5 pixels. To change move tolerance, type
the desired value over the default Move Tolerance.

Page Object Size

Page Object Size is the paper size used when defining print pages on
the drawing area. The default is a standard 8.5" by 11" page. If you
select a custom size, you can enter a paper width and height.

Changing Color Cues

You can change the icon and flowsheet colors, as well as the colors
depicting the data type, using a complete palette of basic and cus-
tom colors. The default colors are shown below as they are defined
in Chapter 1, Using DATACON.
To change icon and flowsheet colors:

➤ Select Options/Colors... from the menu bar. The Set Colors dia-
log box appears.
Figure 4-10: Set Colors

➤ Click Select... to choose a color for any of the data types.

➤ When your selection is complete, click OK to commit the
changes.

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 Chapter 5
Building a Flowsheet

This chapter describes how to select unit icons, streams, and other
objects on the PFD main window and how to move, resize, rotate,
or flip them. In addition, this chapter describes how to edit and align
text.

Placing Units on the Flowsheet

The DATACON main window is your drawing board. DATACON
supplies a floating PFD palette and drawing objects that help you
draw your problem quickly.

The PFD palette shows icons for each unit operation that you can
select to place on the flowsheet. The PFD palette appears automati-
cally when you open a new or existing file, or when you import a
keyword file.

To hide/unhide the PFD palette:

➤ Click the Palette On/Off button, or check the Palettes/PFD

option on or off from the View menu.

Selecting a Unit from the PFD Palette

To place a unit on your flowsheet:

➤ Choose the icon from the PFD palette.

➤ Position the cursor where you want the unit icon to appear and
click the left mouse button.
To cancel unit placement:

➤ Click the right mouse button.

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 Placing Multiple Unit Icons on the Flowsheet
You can place a series of unit icons in succession.

To place more than one unit at a time:

➤ Select the desired unit from the floating PFD palette.
➤ Press <Shift>, and while holding down <Shift>, click on the
PFD main window to place the icon.
➤ While still holding down <Shift> click on the PFD to place the
second icon.
➤ Repeat for each additional placement of this icon.

Deleting a Unit
To delete a unit already on the flowsheet:

➤ Click on the unit icon you want to delete.

➤ Click on the delete icon on the toolbar, or press <Delete>, or
click the right mouse button and select Delete.

Relabeling a Unit
DATACON automatically labels each unit icon you place on the
PFD main window. You can change the label for a unit by modify-
ing the label on its data entry window. By default, the label consists
of a character and a one-digit auto incrementing number.

To relabel a specific unit:

➤ Double-click on the unit you want to rename. The data entry

window for that unit appears.
Figure 5-1: Unit Data Entry Window

➤ Type over the default name for Unit.

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 ➤ Choose OK . This unit shows the new label; other units retain
the original labeling scheme.

Drawing Streams
Streams mode is used to lay out the connections between units and
feed and product streams. The product ports for each unit automati-
cally appear when you depress the Streams button. Required
product ports are red, while optional product ports are green. For
some unit operations, an entire side of the unit will be red or green
denoting multiple connections to that port.

To use Streams mode or display ports:

➤ Select Streams on the PFD palette.

The cursor changes to an arrow with a S to indicate Streams mode.
DATACON displays the product ports for each unit in the layout. To
display feed ports, depress the left mouse button while the
Streams button is depressed.

Figure 5-2: Streams Mode

Drawing Feed Streams

To draw a feed stream:
➤ Click on an unoccupied area of the PFD main window.
➤ Click the mouse on the feed port you want the incoming stream
connected to.
Figure 5-3: Drawing a Feed Stream

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 Drawing Product Streams
To draw a product stream:
➤ Click the left mouse button on a product port.
➤ Click the left mouse button again where you want the stream to
end.
Figure 5-4: Drawing Product Streams

Drawing a Connection
To connect units:
➤ Click the left mouse button on a port to anchor or start a stream.
The ports and port colors for some unit operations change depend-
ing on the port you selected.
➤ Click the mouse again at the other unit you want to connect.
DATACON draws an orthogonal line to connect the ports.
To cancel a stream connection:
➤ Click the right mouse button or press <Esc>.

Changing a Connection
To change a connection:
➤ Click the end (port) of the stream and hold down the mouse
button.
➤ Drag the end of the stream to a new port.
➤ Release the mouse button.

Connecting Streams When One Unit is Not Visible

In order to complete a stream connection, the ending unit for the
stream segment must be visible in the PFD main window. You may
open another viewport window of the same reconciliation and move
to the end port you wish to view. Alternately, you can also use the

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 scroll bars, the Pan View window, Go to Unit, or Go to Stream tool
to display the end port.

Relabeling a Stream
DATACON automatically labels each stream you place on the PFD
main window. By default, the label consists of an S followed by an
auto incrementing number. You can change the label for a stream by
changing the label on its data entry window.
To relabel a stream:

➤ Double-click on the stream you want to relabel. The Stream

Data dialog box appears.
➤ Type over the default name for Stream.
➤ Click OK .
This stream will now show the new label; other streams retain the
original labeling scheme.

Moving Streams
You can change the route of a stream as desired.

To move a stream:
➤ Click on the end of the stream you want to move. Drag the
stream to the new location.
➤ Release the mouse button to drop the stream in place.

Re-routing Streams
As you add new connections, DATACON automatically performs a
stream route calculation. When you move a stream or a unit opera-
tion icon, this calculation may no longer be valid. You can recalcu-
late an unobstructed, orthogonal path for selected streams.

To re-route a stream:

➤ Select the stream(s) you want to reroute.

➤ Choose Edit/Reroute from the menu bar.
DATACON calculates the best route for these streams and automat-
ically re-routes them.

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 Searching for a Unit or Stream
DATACON builds two lists that identify the units and the streams
you have placed on the flowsheet. DATACON repositions the flow-
sheet to place the selected unit or stream at the center of the main
window. You can also use these lists to enter data directly into the
selected data entry window and review of output results for the
selected stream or unit. These search tools are only available on the
toolbar if the Standard Toolbar is active.

Going to a Unit
The Unit List identifies each unit by name.

To search for a unit:

➤ Click the Go to Unit button or select View/Unit List from the
menu bar. The Search for Unit dialog box appears, showing the
names of all units currently placed on the flowsheet.
➤ Select the unit you want to go to. The unit appears at the center
of the PFD.

Going to a Stream
The Stream List identifies each stream by name.

To search for a stream:

➤ Click the Go to Stream button or select View/Stream List from

the menu bar. The Search for Stream dialog box appears, dis-
playing the names of all streams currently placed on the PFD.
➤ Select the stream you want to go to. The stream appears at the
center of the PFD.
Figure 5-5: Examples of Search for Windows for Units and Streams

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 Drawing Freehand Objects
DATACON provides six objects that you can place on the flow dia-
gram to customize the look and increase understanding of the flow
diagram without interfering with reconciliation data. DATACON
allows you to draw the following objects: text, line, polygon, rectan-
gle, ellipse, and page.

Adding Text to the Flowsheet

You use the text option to include notes on your drawing. Once you
choose text mode, you remain in text mode as long as you continue
to click OK on the Draw Text dialog box; choosing Cancel exits
text mode.
To place text:

➤ Choose Draw/Text from the menu bar. The Draw Text dialog
box appears.
Figure 5-6: Draw Text Dialog Box

➤ Enter the text you want to appear on the diagram.

➤ Choose a font size for the text (default is 50) and click OK .

Editing Text
You can change the text, size and or rotation of any text object on
the PFD.

To edit text:

➤ Double-click on the text object you want to change. The Draw

Text dialog box appears.
➤ Make the desired changes and click OK .

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 Aligning Text
You can align text in two or more text boxes to the left, right or cen-
ter of the box they are drawn in.

To align text:

➤ Select the text you want to align (you must select at least two)
by clicking on the first text box, then click on the other box(es)
while holding down the <Shift> key.
➤ Select Edit/Align Text from the menu bar.
➤ Choose Left, Center or Right from the sub-menu.

Drawing Lines
You use the line option to add connected lines to the diagram with-
out interfering with reconciliation data. DATACON provides an
orthogonal polyline feature.

To draw a line:

➤ Choose Draw/Line from the menu bar.

➤ Click and hold the mouse button on the PFD to anchor the line.
➤ Press <Space> to set each anchor point for drawing in a new
direction.
➤ Release the mouse button to complete your line.
To draw orthogonal connected lines:
➤ Choose Draw/Line from the menu bar.
➤ Click and hold the mouse button on the PFD to anchor the line.
➤ Press <Ctrl>, and while holding down <Ctrl>, drag the cursor.
➤ Press <Space> to set each anchor point for drawing in a new
direction.
➤ Release the mouse button to complete.

Drawing Shapes
You can draw shapes to enclose figures on a diagram without inter-
fering with reconciliation data.
To draw a polygon:

➤ Choose Draw/Polygon from the menu bar.

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 ➤ Click and hold down the mouse button.
➤ Press <Space> to each anchor point for drawing in a new
direction.
➤ Release the mouse button to complete your object.
Figure 5-7 shows examples of possible shapes you can draw on the
DATACON flowsheet.
Figure 5-7: Drawing Freehand Objects in DATACON

To draw an orthogonal polygon:

➤ Choose Draw/Polygon from the menu bar.
➤ Click and hold the mouse button on the PFD.
➤ Press <Ctrl>, and while holding down <Ctrl>, drag the cursor.
➤ Press <Space> to each anchor point for drawing in a new
direction.
➤ Release the mouse button to complete your orthogonal
polygon.
To draw a rectangle or ellipse:

➤ Choose Rectangle or Ellipse from the Draw menu.

➤ Click and hold down the mouse button on the PFD.
➤ Drag and release when you see the desired size rectangle.

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 To draw a square or circle:

➤ Choose Rectangle or Ellipse from the Draw menu.

➤ Click and hold down the mouse button on the PFD.
➤ Press <Ctrl> then drag and release the mouse button to com-
plete your square.

Drawing Pages
You can divide your PFD into pages and define separate page setup
options for each page. Pages can be individually printed or copied
to the clipboard, and pasted into numerous word processing pro-
grams.

To add a page:

➤ Choose Draw/Page from the menu bar.

➤ Click on the PFD.
➤ Drag and release the mouse button to the desired size.
The page name is automatically given as PG followed by an auto
incrementing three-digit number.
Figure 5-8: Pages

To change the page setup options:

➤ Double-click anywhere along the page border. This brings up

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 ➤ Select your page setup options.
➤ Click OK to continue.
After you have set up a page, you can resize it or make this page one
cell in a grid of pages.

To resize the page:

➤ Click near the page outline to highlight the page.

➤ Click and drag the sizing box.
To move the page:
➤ Click and drag the page outline to a new location.
To make a grid of pages:
➤ Select the page by clicking near the page outline.
➤ Double-click the left mouse button to display the Page Setup
dialog box.
➤ Click on the radio button labeled Grid in the Change Page
Parameters group.
➤ In the Page/Grid group, select the radio button for Multiple
Pages.
➤ Change the number of rows and columns to make a grid of
pages on the PFD. The page you started with will be the upper
left cell of the grid.
The grid can be resized and moved on the PFD, in the same manner
as a single page.

Changing the Flowsheet Layout

DATACON provides a variety of layout templates that change the
look of your process flow diagram. Each template uses a different
algorithm for calculating the position of unit operations and stream
connections. You do not have to re-execute a reconciliation in order
to change its layout.

To change the layout of your diagram:

➤ Select View/Lay Out Flowsheet from the menu bar. A cascading

menu appears to the right of the View menu.

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 ➤ Choose one of the following layouts:
Single Line—lays units in a single line from left to right.
Multi-line Type 1—left-aligns the feed streams on the PFD.
Multi-line Type 2—right-aligns the feed streams on the PFD.
Multi-line types 1 and 2 are mirror images.
Figure 5-9: Sample PFD

Figure 5-10: Single Line Layout

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 Chapter 6
Manipulating Objects

This chapter describes how to select unit icons, streams, and other
objects on the PFD main window and how to move, resize, rotate,
or flip them. In addition, this chapter describes how to edit and align
text. This chapter also describes how to use the DATACON scroll,
pan, and multiple viewport features to display portions of your
flowsheet diagram in the PFD.

Selecting Objects or Groups of Objects

You can select a single object, multiple (noncontiguous) objects, or
a group of objects. Objects or groups of objects include units,
streams and drawn objects. All manipulations (delete, rotate, move)
are performed on selected objects.

Selecting Multiple Objects

You can select a set of noncontiguous objects.
To select a set of individual objects:

➤ Click on the first object.

➤ Press <Shift>.
➤ While holding down <Shift>, click on each object you want to
include as part of this set.
Handles appear for the set of objects. In Figure 6-1, the three heat
exchangers are part of the group, however the valve which appears
within the selection rectangle is not. The icon borders of the
selected objects appear green as opposed to black.

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 Figure 6-1: Multiple Unit Selection Handles

Selecting a Group of Objects

You can gather a group of contiguous objects by dragging a selec-
tion rectangle around them.
To select a contiguous group of objects:

➤ Click on an unoccupied area of the PFD adjacent to one of the

items you want to select and begin dragging the cursor by mov-
ing your mouse.
➤ Drag the cursor until all desired objects are inside the selection
rectangle outline.
➤ Release the mouse button to end the selection.
Handles appear for the selected group of objects.

Selecting All Objects

You can select all objects on the flowsheet with one command.
Once selected, you can then move or delete the entire selection.

To select all objects on the flowsheet:

➤ Choose Edit/Select All from the menu bar.

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 Deselecting Objects
If you change your mind after selecting objects, you can reverse any
selection.

To deselect or unselect all objects in the layout:

➤ Select Edit/Select None from the menu bar, or click on another

item or on an unoccupied area of the PFD.

Canceling a Selection Operation

If you have changed a flowsheet layout, you can edit/undo (reverse)
the last action. The label for the Undo command changes to indicate
the type of operation you can undo.
To undo any operation:

➤ Press <Esc>, or select Edit/Undo from the menu bar, or click

the right mouse button on an unoccupied area of the PFD.

Resizing an Object
You can change the height, width, or overall size of any object or a
group of objects on your flowsheet.

Changing the Size of a Selected Object

When changing the width of a group of objects, you change the
absolute distance between the objects and maintain the relative dis-
tance.

To change the size of an object:

➤ Click and drag the cursor until the object is the desired size.
➤ Release the mouse button.

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 Figure 6-2: Resize Column

Restoring Unit Icon Size

If you don’t like how your resized icon looks (relative to other icons
and objects on your flowsheet) you can quickly return the icon to its
default size.

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 To restore an icon to its original size:

➤ Choose Edit/Restore Icon Size from the menu bar. You can also
click the right mouse button on a selected icon, and then choose
Restore Icon Size.

Redraw the Reconciliation

You can use redraw to clear extraneous lines and dots from the PFD.

To redraw the diagram:

➤ Click the Redraw button on the toolbar, or choose View/Redraw

on the menu bar, or press <Shift+Home>.

Rearranging Objects or Groups of Objects

You can move objects to a different area of the flowsheet. You can
also rotate or flip a unit icon so it fits into the flow of your diagram.

Moving Selected Objects

To move a selected object:

➤ Click and drag the object or group of objects to a new position.

➤ Release the mouse button.

Rotating Selected Objects and Icons

To rotate a selected object or icon:
➤ Select Edit/Rotate from the menu bar and choose 90, 180, or
270 from the sub-menu. Or, select a unit icon, right-click, and
select Rotate from the menu to display the rotation degrees.

Flipping Selected Objects and Icons

You can flip a selected object(s) horizontally or vertically to better
orient the object(s) relative to other objects of the diagram.

To flip a selected object or icon:

➤ Select an object(s).
➤ Select Edit/Flip from the menu bar and select Horizontal or
Vertical from the sub-menu. Or, select a unit icon, right-click,
and select Flip from the menu to display the flip options.

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 Scrolling the Flowsheet
You can scroll the PFD left, right, up, or down using the horizontal
and vertical scroll bars. Both bars enable you to scroll in small or
large increments or to scroll to a general location. You can change
the actual value for the scroll increments by altering the Pan Incre-
ment value on the General Drawing Defaults dialog box.

Zooming the Flowsheet

You can access the DATACON zoom features from the View menu,
using the zoom buttons on the toolbar, or using the keyboard. The
default small zoom increment is 5 pixels and the default large zoom
increment is 20 pixels. You can change the increment DATACON
uses to zoom in or zoom out within the General Drawing Defaults
dialog box.
To zoom in or out:

➤ Select Zoom In or Zoom Out from the View menu, or click the
Zoom button on the toolbar, or press <PgUp> or <PgDn>.

Zooming In on a Selected Area

You can specify the exact area of the flowsheet that you want to
zoom in on.
To zoom in on a specific area of the flowsheet:

➤ Click the Zoom Area button on the toolbar or choose View/

Zoom Area from the menu bar.
➤ Click and drag the mouse to encompass the desired area within
the selection rectangle outline.
➤ Release to complete the zoom area operation. The selected area
fills the PFD.

Zooming to Show the Entire Flowsheet

You can quickly display the entire flowsheet in the PFD.
To use zoom to show the full flowsheet:

➤ Click the Zoom Full button on the toolbar, Select Zoom Full
from the View menu, or press <Home>.

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 Opening Multiple Viewport Windows
You can open multiple viewports of a single reconciliation problem
to display different views of the flowsheet. If the multiple viewports
button is not displayed on your toolbar, check the Standard menu
option from the View/Toolbar menu (i.e., select this option).

To open an additional viewport of the current reconciliation:

➤ Click the Multiple Viewports button on the toolbar or choose

Windows/New View from the menu bar.
Figure 6-3: Multiple Viewports

Creating Block Diagrams

For large flowsheets, you may want to organize the flowsheet with
sub-flowsheets. The DATACON block diagram feature allows you
to group one or more unit operations on a flowsheet into a single
icon, simplifying the main flowsheet. Block diagrams can also be
nested.

To collapse a group of objects into a block diagram:

➤ Drag a selection rectangle around the section of the flowsheet

containing the heat exchangers and the compressor, as illus-
trated in Figure 6-4.

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 Figure 6-4: Selected Area of PFD

➤ Right-click and select the Collapse item from the right mouse
menu.
The selection will be collapsed into a block diagram (called BD1 by
default) as shown in Figure 6-5.
Figure 6-5: Selected Section Collapsed into a Block Diagram

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 Panning
The Pan View window is a thumbprint of the entire flowsheet. For a
large flowsheet, the Pan View window is used to quickly switch
from one area of the flowsheet to another.
You can change the settings for the pan increment in the General
Drawing Defaults dialog box.

Displaying and Hiding the Pan View Window

A bounding box identifies the area of the flowsheet currently visible
in the PFD main window. You move the bounding box or change its
size to change how much or what portion of the flowsheet you see
in the PFD.

To display the Pan View window:

➤ Click the Pan View button on the toolbar or choose Window/Pan

View from the menu bar.
Figure 6-6: Pan View Window

Panning - Using the Pan View Window

Use the bounding box to change the visible portion of the flowsheet
in the PFD main window by moving, enlarging or reducing the
bounding box in the Pan View window. The flowsheet in the PFD
view changes to match the area encompassed by the bounding box.

To move the bounding box:

➤ Click the mouse inside the box and drag to a new location. The
area enclosed fills the PFD.
To change the size of the bounding box:

➤ Click and drag the bounding box border handle to enlarge or

reduce the bounding box. The area enclosed fills the PFD.

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 Panning - Using the Menu Options
You can pan the image in the PFD up, down, left, or right using the
panning options on the Zoom menu.

To pan the image a large or small amount:

➤ Choose Large Pan or Small Pan from the View menu. The pop-
up menu appears.
➤ Choose Left, Right, Up, or Down.

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 Chapter 7
Specifying Component,
Thermodynamic, and Stream Data

This chapter describes several types of optional component, ther-

modynamic, and stream information which may be supplied for
DATACON. In many cases, the default values are satisfactory and it
may not be necessary for you to visit these sections.

Component Data
DATACON provides considerable flexibility in the definition of
component data. No limit is set on the number of components
which may be used for any problem. Furthermore, component data
may originate from a variety of sources such as SIMSCI databanks,
user-prepared databanks, user-defined components, and compo-
nents derived from petroleum assay data for feed streams. More-
over, you may stipulate a preferential search order when multiple
databanks are used.

The SIMSCI databanks, SIMSCI and PROCESS contain more than

1700 components and are adequate for nearly all simulation mod-
els. The AIChE DIPPR databank is also available as an add-on to
DATACON. User databanks of thermophysical data can be created,
using SIMSCI LIBMGR and DATAPREP programs, and main-
tained through DATACON graphical user interface. SIMSCI
REGRESS is also fully supported in DATACON, allowing you to
carry out regression of experimental thermophysical data to model
equations.

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 Selecting Library Components
You may select library components, from both SIMSCI and user-
supplied databanks, through the Component Selection main data
entry window.
To select components:

➤ Click the Component Selection button on the toolbar, or select

the menu bar item Input/Component Selection. The Component
Selection dialog box appears.
Figure 7-1: Component Selection

If you know the library access name for a component, you may
enter it directly into the data entry field. Click Add -> or press
<Enter> to retrieve the component from the component databank
and add it to the List of Selected Components. If the component can-
not be located by the name you have entered, a warning will recom-
mend that you use the Select from Lists... feature to locate the
component in the SIMSCI and PROCESS databanks.

➤ Click Select from Lists... on the Component Selection main

data entry window to open the Component Selection - List/
Search dialog box.
➤ Select a Component Family from the box using the scroll bar to
maneuver vertically through the list. A large number of compo-
nent families are provided to speed the search. A brief descrip-
tion is given below:

Most Commonly Used: Approximately 100 components representing

all of the pure components commonly encountered in natural gas
and petroleum processing.
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 Hydrocarbon Lightends: Light gases commonly reported on analyses
for oil refinery streams.

All Components: Every component in the SIMSCI and PROCESS

databanks.

Families of Specific Chemical Type: Twenty families in alphabetical

order:

Acids Additional Electrolyte Components

Alcohols Aldehydes
Amides Amines
Aromatic Hydrocarbons Elements
Esters Ethers
Halogenated Derivatives Ketones
Miscellaneous Naphthenic Hydrocarbons
Other Nitrogen Derivatives Paraffinic Hydrocarbons
Salts and Minerals Silicon Derivatives
Sulfur Derivatives Unsaturated Hydrocarbons

For all families listed above, except for Hydrocarbon Lightends,

you may define specific search criteria by selecting radio buttons
and entering a search string. Use part or all of the component name,
alias, or chemical formula as the search string. As components are
located, transfer them to the Additions to Component List box.
When you have located all the components, click OK to return to
the Component Selection main dialog box and to transfer the com-
ponents to the List of Selected Components.

The priority order for databanks can be defined by clicking

Databank Hierarchy on the Component Selection main dialog box
to access the Component Selection – Databank Search Order dialog
box. This dialog box initially displays the default search order and
may be modified to search the databanks in any order. Components
are always selected from the first databank in the search order in
which they appear.

Entering User-Defined Components

You may want to enter a component as a user-defined component
when you wish to use a component that is not in the DATACON
library.

➤ Enter user-defined components by clicking User-defined... on

the Component Selection main dialog box to access the Compo-
nent Definition - User Defined dialog box.
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 Figure 7-2: Component Selection - User Defined

➤ Type in the name of the user-defined component in the Compo-

nent Name entry field.
➤ Click OK to commit the new component name.

Note: At this point, you have only entered the name of the user-
defined component in the database. You must supply the properties
for the component as described below in Modifying Component
Properties section.

Defining Petroleum (PETRO) Components

Define PETRO components by clicking Petroleum... on the Com-
ponent Selection main dialog box to access the Component Selec-
tion – Petroleum Components dialog box. You can define any
number of PETRO components in a single visit to this dialog box
by using the tabular input provided.
Figure 7-3: Component Selection – Petroleum Components

You must supply at least two of the three correlating properties,

normal boiling point, standard liquid density, and molecular weight
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7-4 Specifying Component, Thermodynamic, and Stream Data
 supplied by DATACON as NBP XXX where XXX is the component
normal boiling point. DATACON uses internal correlations to
estimate the third parameter, when missing.
All necessary physical and thermodynamic properties are computed
from the three correlating properties. Molecular weight is the most
difficult property to predict accurately from generalized correlations
and should be supplied when possible for the most accurate charac-
terization for a PETRO component.

Note: You cannot enter data for assay pseudocomponents (which

are based on stream assay information) in this dialog box. All
properties for components derived from assay data are automati-
cally defined and added to the component list by DATACON.

Deleting and Renaming Component Properties

Currently, actions on components that appear in the List of Selected
Components in the Component Selection main dialog box are
limited to deletion or renaming of components.

To delete a component:

➤ Highlight the component in the List of Selected Components

box.
➤ Click Delete .
To rename a component for printout purposes:
➤ Highlight the component in the List of Selected Components
box.
➤ Click Rename... to open the Rename a Component dialog
box.
➤ Enter the new name in the data entry field.

Modifying Component Properties

You can modify properties for any component entered through the
Component Selection main data entry window via the Component
Property dialog box.

To modify component properties:

➤ Click the Component Properties button on the main toolbar, or

select Input/Component Properties... from the menu bar. The
Component Properties dialog box appears.
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DATACON 3.1 User’s Guide 7-5
 Figure 7-4: Component Properties

Note: Component properties cannot be defined before the compo-

nent names have been entered.
There are three methods available for component property modifi-
cation, which allow you to specify fixed properties, temperature-
dependent properties, and fill from structure.

Method 1: Specifying Fixed Properties

Click Fixed... to open the Components Properties-Fixed Proper-
ties dialog box. Here you can modify fixed component properties
such as molecular weight, critical temperature and NBP. With the
exception of assay components, all components can be modified via
this dialog box. For those properties having UOMs, all data is dis-
played with the UOMs of the current problem.
Starting from this dialog box, use the appropriate button to modify
other properties.

➤ Click Critical Properties... to specify critical temperature, crit-

ical pressure, critical volume and critical compressibility factor.
➤ Click Molecular Constants... to specify properties such as
dipole moment, radius of gyration, van der Waals area parame-
ter and van der Waals Volume parameter.
➤ Click Heats of Formation... to specify enthalpy of formation
and Gibbs energy of formation. In this entry, reference phase
designation is a required input. The reference phase can be
vapor, liquid or solid. Vapor phase is the default.
➤ Click Miscellaneous Properties to specify acentric factor, solu-
bility parameter, Rackett parameter, liquid molar volume, heat
of vaporization, heat of fusion, normal melting point, triple
point temperature, triple point pressure, heat of combustion,
gross heating value, lower heating value, carbon number and
hydrogen deficiency number.
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7-6 Specifying Component, Thermodynamic, and Stream Data
 For DATACON library components, the values in the database will
appear in the various property dialog boxes. In cases where there is
no library value to serve as the default, the default displayed will be
the text Missing. You may reassign values for any of these
properties.

Method 2: Specifying Temperature-Dependent Properties

You may enter or override default data for properties that change
with temperature, such as density and viscosity, for the vapor, liquid
or solid phases of the pure components in your simulation. You may
supply new data in the form of tables or as correlation coefficients
of one of 29 different equation types.

Click Temperature Dependent to open the Component Properties -

Temperature Dependent Properties dialog box. All the library and
user-defined components from the current problem are displayed.
To enter or modify data for a property of a component, click on the
corresponding button for that component. For properties that may
apply to more than one phase, you are first required to select the
phase for which you are to supply data in the Component Properties
- Phase dialog box.

➤ Click VP to enter or modify liquid or solid vapor pressure

data.
➤ Click H to enter or modify vapor, liquid or solid enthalpy
data.
➤ Click Cp to enter or modify solid heat capacity data.
➤ Click ∆Hν to enter or modify latent heat data.
➤ Click ρ to enter or modify liquid or solid density data.
➤ Click µ to enter or modify vapor or liquid viscosity data.
➤ Click κ to enter or modify vapor, liquid or solid conductivity
data.
➤ Click σ to enter or modify liquid surface tension data.
In the Component Properties - Data Source Selection dialog box
choose the method of data entry. You may enter data either in tabu-
lar form or as coefficients for one of as many as 29 equations.
If you choose the Correlation Coefficients option, you may display
the form of the equation by selecting the appropriate Correlation
Number in the like-named drop-down list.
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DATACON 3.1 User’s Guide 7-7
 ➤ Select one of the correlations and supply coefficients as
required. If the form of the equation is logarithmic, you may
select the base of the logarithm. You may change the units of
the equation and may impose maximum and minimum temper-
atures of applicability.

Note: The full range of equations can be found in the online

DATACON Reference Manual accessible via the Help system. If
you choose an equation that is not standard, a message to that
effect appears, and the border of the drop-down list box will be
yellow.
If you choose the Tabular Data option, the Component Properties -
Tabular Data dialog box appears.

➤ Enter temperature and property data. You must enter at least

one data pair.

DATAPREP
The most commonly used features of DATAPREP, particularly
relating to point properties and temperature-dependent correlations
for pure components, are now accessible in the graphical user inter-
face of DATACON. DATACON allows you to input data, view data-
base correlation information, override database information as
desired, and plot parameters over a temperature range.

Method 3: Specifying Fill From Structure

The Fill from Structure button opens the Components Properties -
Fill from Structure dialog box. The Available Components list on
the left hand side contains library and user-defined components
from the current problem. You can add or remove components to be
filled from structure to the like-named list on the right. Click OK
to have the properties of the selected components filled from
structure.

DATACON predicts properties from structure using established cor-

relations and techniques. Joback (1985) significantly expanded the
work of Lyderson (1955) in this area providing a group contribution
method for the prediction of critical properties, boiling point, freez-
ing point, ideal gas capacity, enthalpy and Gibbs heat of formation.
Joback used a large database of components to statistically deter-
mine group parameters for 42 different functional groups. SIMSCI
has extended this work to include several missing parameters.

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7-8 Specifying Component, Thermodynamic, and Stream Data
 To use the Fill from Structure procedure:

➤ Click UNIFAC Structures... on the Component Properties dia-

log box to display the like-named dialog box.
A UNIFAC Structure entry is mandatory for all components for
which Fill from Structure has been requested.

➤ Click UNIFAC Structures... adjacent to the component of inter-

est to open the Define UNIFAC Structure dialog box where you
can choose from families of components or from the UNIFAC
group number directly.

Assay Data
For many petroleum-based streams, the composition is not fully
known in terms of defined components. These stocks must be char-
acterized by pseudocomponents for which the necessary physical
and thermodynamic properties have been estimated. DATACON has
extensive procedures for translation of petroleum stream laboratory
assay data into pseudocomponents.

Pseudocomponents are based on boiling point or cutpoint ranges on

the true boiling point (TBP) distillation for the stock. The normal
boiling point for a pseudocomponent is defined as the weighted
average temperature of its cutpoint range. The TBP distillation must
often be derived from another type of laboratory distillation, using a
conversion procedure. DATACON accepts the following types of
laboratory distillations: TBP, ASTM D1160, ASTM D86, and
ASTM D2887. While laboratory distillations are usually reported
on a 760 mm Hg basis, DATACON has procedures to correct distil-
lations for other laboratory pressures.

Estimated values for the standard liquid gravity and molecular

weight for each pseudocomponent are also needed for the character-
ization process. The standard liquid gravity for each pseudocompo-
nent is derived from the gravity curve for the stream, in similar
fashion to the normal boiling point. The gravity curve for the stream
is often not available, and it must be estimated, based on the average
stream gravity and the distillation curve. The molecular weight
curve is seldom available, and the molecular weight for each
pseudocomponent is usually predicted from its normal boiling point
and standard liquid gravity. All other required physical and thermo-
dynamic properties may be estimated from the normal boiling
point, standard liquid gravity, and molecular weight.
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DATACON 3.1 User’s Guide 7-9
 The use of assay data in DATACON is divided into two logical
steps. The first step involves the definition of the cutpoint ranges
and selection of the characterization options used in development of
the pseudocomponents. Characterization options include distillation
curve fitting and conversion methods, gravity curve generation pro-
cedure, methods for prediction of molecular weight, and methods
for estimation of critical properties and ideal gas enthalpies. If the
default cutpoint ranges and methods furnished by DATACON are
acceptable, this step may be omitted.

The properties for all pseudocomponents derived from the same

cutpoint set are averaged, based on the stream flows, to develop a
common set of blend components. This technique provides reason-
able results when the streams have similar chemical natures. For
example, all of the assay streams are products from the crude distil-
lation unit. However, when assay streams are dissimilar chemically,
such as virgin materials and cracked materials, there may be serious
errors in the characterizations for the streams when a single set of
blend components is used.

For this reason, you are allowed to define additional cutpoint sets.
For example, an additional cutpoint set may be defined to represent
the products from an FCC reactor. Note that it is not necessary or
desirable to define a separate cutpoint set for each assay stream.
Similar streams may be grouped by using the same cutpoint set
without a serious loss of accuracy. This also minimizes the number
of components in the simulation, keeping calculation times smaller.

The second step is supplying the petroleum stream laboratory assay

data to DATACON. This step is accomplished in the setup of initial
feed streams and is discussed in the Stream Data section of this
chapter.

TBP Cutpoint Sets

TBP cutpoint sets are defined in the Assay Cutpoints and Charac-
terization main data entry window.

To define TBP cutpoint sets:

➤ Click the Assay Characterization button with the distillation

pseudocomponent curve on the toolbar, or select the menu bar
item Input, then select the menu item Assay Characterization.

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7-10 Specifying Component, Thermodynamic, and Stream Data
 Figure 7-5: Assay Cutpoints and Characterization

A Primary Cutpoint Set is always provided as a default by DATA-

CON. This set has the following cutpoint definitions:

Cutpoint Range, °F Cutpoint Range, °C Number of Cuts

100 - 800 38 - 427 28
800 - 1200 427 - 649 8
1200 - 1600 649 - 871 4

The default cutpoint ranges are usually reasonable for crude oil
problems. They may be modified in the Assay Data Primary TBP
Cutpoints Definition dialog box which is accessed by clicking
Modify... on the Assay Cutpoints and Characterization main data
entry window. A convenient tabular form is provided for editing the
primary cutpoint set.

Additional or secondary cutpoint sets may be added to the problem

by clicking Define New Cutpoint Set... on the Assay Cutpoints and
Characterization main data entry window to access the Assay Data
Secondary Set of TBP Cuts. A cutpoint set name is supplied on this
dialog box and a tabular entry form is provided for definition of the
cutpoints. This dialog box is also used to modify existing secondary
cutpoint sets and is presented when the Modify... button on the
Assay Cutpoints and Characterization main data entry window is
clicked and a secondary cutpoint set has been highlighted in the
Defined Secondary Sets list box on the Assay Cutpoints and Char-
acterization main data entry window.

Highlighted secondary cutpoint sets in the Assay Cutpoints and

Characterization main data entry window may be deleted by click-

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DATACON 3.1 User’s Guide 7-11
 ing Delete... . This action removes the secondary cutpoint set from
the problem.

The Default Cutpoint Set is used for all streams for which a cutpoint
set is not specified. Initially, it is defined as the Primary Cutpoint
Set by DATACON. After one or more secondary cutpoint sets have
been defined, the default cutpoint set may be changed via the drop-
down list box on the Assay Cutpoints and Characterization main
data entry window. It is convenient to define the cutpoint set which
is used the most often as the default cutpoint set.

Assay Characterization Options

Global assay characterization options are selected on the Assay
Characterization Options dialog box which is reached by clicking
Characterization Options on the Assay Cutpoints and Characteriza-
tion main data entry window.
Figure 7-6: Assay Characterization Options

Several groupings of options are shown in this dialog box, with all
options selectable with radio buttons. The option groups are as
follows:

Criticals, Ideal-Gas Enthalpy: SIMSCI (Twu) method (the default), Cavett

method, or Lee-Kesler method.

Molecular Weight: SIMSCI (Twu) method (the default), Old (1967) API
method, or Extended 1980 API method.

Gravity Curve Generation Method: Constant Watson K from TBP Curve

(default), or Constant Watson K from D86 Curve.

D86/TBP Conversion Method: API 1987 (the default), API 1963, API 1994,
or Edmister-Okamoto.
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7-12 Specifying Component, Thermodynamic, and Stream Data
 Distillation Curve Fitting Procedure: Cubic Spline (default), Quadratic
Polynomials, or Probability Density Function (PDF).

Distillation Boundaries: Initial Point and End Point percentages.

Include in PDF: Include initial boiling point in fit, and/or include end
point in fit.

Calculation of NBP for Cuts: Liquid Volume Average (default) or Tempera-

ture Midpoint.

The characterization options are explained in greater detail in the

DATACON help text and the online DATACON Reference Manual
accessed via the Help menu.

Thermodynamic Data
The selection of appropriate thermodynamic methods is an impor-
tant and necessary step in the solution of flowsheet problems.
DATACON provides a wide range of methods to allow solution of
the wide variety of systems which occur in the chemical process
industries.
Thermodynamic properties are an integral part of the flowsheet cal-
culations. The equilibrium K-values (both VLE and LLE) are used
to determine the phase separations. The enthalpies for the streams
are used to determine the energy required to take a system of com-
ponents from one set of thermal conditions to another. Entropies
are used in the calculation of the isentropic operations and the
Gibbs free energy minimization reactor. Liquid and vapor densities
are used in heat transfer, pressure drop, and column tray sizing.
Transport properties are selected in conjunction with the thermody-
namic methods in DATACON and are comprised of liquid and
vapor viscosities, liquid and vapor thermal conductivities, and liq-
uid diffusivities. While not strictly a transport property, liquid sur-
face tension is also included.

In DATACON, the selection of thermodynamic methods has been

simplified by the concept of the method set. Method sets consist of
predefined thermodynamic methods for K-values (VLE and LLE),
liquid and vapor enthalpies, entropies, vapor fugacities, and densi-
ties. Numerous predefined sets are provided. Multiple thermody-
namic method sets may be selected for each flowsheet, but only the
default set can be used for the whole flowsheet.

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DATACON 3.1 User’s Guide 7-13
 A facility is also provided to modify the thermodynamic methods in
the predefined method sets. Certain parameters for some of the ther-
modynamic methods may also be supplied.

Selecting Predefined Method Sets

Selection of thermodynamic method sets is accomplished via the
Thermodynamic Data dialog box which may reached from the PFD
main window.

➤ Click the Thermodynamic Data button on the toolbar or select

Input/Thermodynamic Data from the menu bar.
Figure 7-7: Thermodynamic Data

For convenience, several Categories of method sets can be selected

in the list box on the Thermodynamic Data dialog box. The Primary
Method, i.e., the method used for calculation of equilibrium
K-values, for each method set in the selected category appears in a
drop-down list box and may be selected to add the method set to the
Defined Systems for the problem.
The Defined Systems appear in a list and each can be selected for
further action by highlighting the desired method and clicking the
buttons: Modify... , Delete... , and Rename... on the Thermody-
namic Data dialog box. The method set for which action is to be
taken is selected (highlighted) in the Defined Systems list box.
Delete removes the selected method set from the problem. The
Rename option is used to change the name of the selected method
set. This is useful when it is desired to use a method set more than
one time in a problem, perhaps with different parameters. Modifica-
tion of method sets is discussed later in this section.

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7-14 Specifying Component, Thermodynamic, and Stream Data
 The following Categories of method sets are provided:

Most Commonly Used: These method sets may be used for a wide variety
of problems. Nearly all gas processing and oil refining calculations are
handled satisfactorily. Method sets in this category are: Soave-Redlich-
Kwong (SRK), Peng-Robinson (PR), Grayson-Streed (GS), Braun K-10
(BK10), Ideal, NRTL, UNIQUAC, and UNIFAC.

Equations of State: Equations of state are applicable to wide ranges of

temperatures and pressures. They can be used to calculate all thermody-
namic properties, using the ideal gas state as the reference state. The
cubic equations, in particular, are able to accurately predict critical and
supercritical conditions. Equation of state method sets are: Soave-
Redlich-Kwong (SRK), SRK-Kabadi-Danner (SRKKD), SRK-Huron-
Vidal (SRKH), SRK-Panagiotopoulos-Reid (SRKP), SRK-Modified-
Panagiotopoulos-Reid (SRKM), SRK-SIMSCI (SRKS), SRK-Hexamer
(HEXAMER), Peng-Robinson (PR), PR-Huron-Vidal (PRH), PR-Pana-
giotopoulos-Reid (PRP), PR-Modified-Panagiotopoulos-Reid (PRM),
BWRS (BWRS), Lee-Kesler-Plöcker (LKP), and Uniwaals (UNI-
WAALS).

Liquid Activity: Liquid activity methods use liquid phase activity coeffi-
cient models to represent the liquid mixture in phase equilibrium calcula-
tions. This approach is useful for modeling strongly non-ideal liquid
solution behavior. Methods available in DATACON include: NRTL,
UNIQUAC, Wilson, van Laar, Margules, Regular Solution, Flory-Hug-
gins, UNIFAC, UNIFAC TDep-1, UNIFAC TDep-2, UNIFAC TDep-3,
UNIFAC Free Volume, and Ideal.

Generalized Correlations: Generalized correlations predict K-values with

semi-rigorous equations. The Grayson-Streed and Chao-Seader correla-
tions use the Redlich Kwong equation for vapor fugacities and empirical
relationships for the liquid fugacities. Braun K-10 is based on the con-
vergence pressure concept. A variety of other correlations are used to
predict the other properties, i.e., enthalpies, entropies, and densities.
Generalized correlations are: Braun-K10 (BK10), Grayson-Streed (GS),
Improved-Grayson-Streed (IGS), Grayson-Streed-Erbar (GSE), Chao-
Seader (CS), Chao-Seader-Erbar (CSE), and Ideal (IDEAL).

Special Packages: Special packages are designed to solve a particular

industrial application. Special packages in DATACON are: Alcohol
(ALCOHOL), Glycol (GLYCOL), Sour Water (SOUR), GPA Sour Water
(GPSWATER), and Amine (AMINE).

All Primary Methods: This category includes all of the primary thermody-
namic sets that are listed above.

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DATACON 3.1 User’s Guide 7-15
 User-Added Methods: This category includes all of the 15 user-added
method sets that may be defined by the user.

The DATACON online help texts provide application guidelines for

the various method sets, as well as a brief description for each
method. More detailed information may also be found in the
DATACON Reference Manual (also available online). Table 8-1 at
the end of this section gives a detailed list of the composite thermo-
dynamic methods used for each predefined method set.

Modifying Predefined Method Sets

Predefined method sets are modified via the Thermodynamic Data-
Modification dialog box which is accessed by clicking Modify...
on the Thermodynamic Data dialog box.
Figure 7-8: Thermodynamic Modification

The preselected thermodynamic methods for the various thermody-

namic properties may then be changed in this dialog box by follow-
ing these steps:

➤ Click on the Current Method drop-down list box corresponding

to the Property type.
➤ Select the replacement thermodynamic method.
Any or all of the thermodynamic methods may be changed for the
method set being modified, including: K-value (VLE), K-value
(LLE), liquid enthalpy, vapor enthalpy, liquid entropy, vapor
entropy, liquid density, vapor density, and vapor fugacity (where
applicable).
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7-16 Specifying Component, Thermodynamic, and Stream Data
 Some property specific data may also be supplied and/or modified
in this dialog box for the thermodynamic methods by clicking
Enter Data... in the Property-specific Data field. Many of the
methods use specific parameters, such as binary interaction factors,
modified acentric factors, etc. A priority search order may be
defined for selection of these parameters from more than one ther-
modynamic databank. Note that thermodynamic databanks are sup-
plied by SIMSCI and can also be prepared with the SIMSCI
LIBMGR program.

Property specific data which apply only to the liquid activity meth-
ods include: fill options for missing parameters, Henry’s Law
options, and Poynting correction options. For the liquid activity
methods, a vapor fugacity method may also be selected.

Other property-specific data which may be modified include the

dimensionless residence time correction factor for amines DGA and
MDEA and the key (or dominant) components in each liquid phase
for K-value (LLE) methods. Key component selection is optional
and DATACON will determine them when not supplied; however,
convergence time may be enhanced by preselection of the key
components.

Fill-In Property Prediction

DATACON allows missing data to be filled in under several circum-
stances. For example, when the composition of an azeotrope and
activity coefficient values at infinite dilution are known for some
pair of species, you can use this option to predict missing activity
coefficient values at intermediate concentrations.

VLE and LLE K-value parameters for liquid activity coefficient

methods may be estimated by the UNIFAC, Temperature-Depen-
dent UNIFAC, Regular Solution, or Flory-Huggins methods, or they
may be obtained from an azeotrope bank. The choice of fill-in prop-
erty prediction is entered on the Binary Data Fill Options dialog
box, which is reached by clicking the corresponding Enter Data...
button on the Thermodynamic Property Modification-Property Spe-
cific Data dialog box. Checking the box will fill in missing data
from the azeotrope databank. A method for filling in missing binary
parameters (using the UNIFAC, modified UNIFAC, Regular Solu-
tion, or Flory-Huggins methods) may be selected by choosing the
appropriate radio button.

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DATACON 3.1 User’s Guide 7-17
 Equation of State Alpha Data
The form to be used for equation of state alphas may be specified on
the Alpha Selection dialog box. This dialog box is reached by click-
ing the appropriate Enter Data... button on the Thermodynamic
Property Modification-Property Specific Data dialog box. The
source of the alphas to be used in the equation of state may be des-
ignated by selecting the appropriate radio button.

Henry’s Law
The Henry’s Law dialog box is used to specify whether or not
Henry’s Law is to be used in conjunction with a liquid-activity
K-value method. This dialog box is brought up by clicking on the
appropriate Enter Data... button on the Thermodynamic Property
Modification-Property Specific Data dialog box. Checking the box
on the Henry’s Law dialog box causes Henry’s Law to be used to
determine the solubility of certain components. Designation of sol-
ute components may either be determined by the program or
selected explicitly, by choosing the appropriate radio button. If the
solute components are to be designated explicitly, the desired solute
components must be selected from the list box on the Henry’s Law
dialog box.

Poynting Correction Factor

The Poynting Correction dialog box is used to specify the use of the
Poynting correction factor for liquid-phase fugacities. The Poynting
Correction dialog box is brought up by clicking the appropriate
Enter Data... button on the Thermodynamic Property Modifica-
tion-Property Specific Data dialog box. There are three options for
the usage of the Poynting correction:

■ Default—This choice specifies that the Poynting correction

will be used only if a vapor fugacity method is chosen.

■ Use Poynting Correction to Liquid Activities—Use the Poynt-

ing correction factor for the liquid phase fugacity.

■ Do Not Use Poynting Correction—Do not use Poynting

correction factor.

If either of the first two options is selected, then the molar volume
calculation method may be selected from the following choices—
Standard (25°C) Volumes, Rackett, Rackett One-Fluid, or Library
Density Correlations. The default method is Standard (25°C)
Volumes.
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7-18 Specifying Component, Thermodynamic, and Stream Data
 Amine Residence Time Correction Factor
The Amine Residence Time Correction dialog box is available only
for the Amine special data package thermodynamic method for
K-values. It is accessed by clicking Enter Data... on the Thermo-
dynamic Property Modification-Property Specific Data dialog box,
then LLE Key Components... on the LLE K-values dialog box. A
value for the residence time correction factor for systems containing
amines MDEA or DGA may be entered in this window. The default
value for this factor is 0.30.

LLE Key Components

You can open the LLE Key Components dialog box whenever an
LLE K-Value method is selected, by clicking the appropriate
Enter Data... button on the Thermodynamic Property Modifica-
tion-Property Specific Data dialog box, then clicking
LLE Key Components... on the LLE K-value dialog box. Both the
light liquid phase and the heavy liquid phase can either be Deter-
mined During Calculations or User-Specified by selecting the
appropriate radio buttons. When the User-Specified radio button is
chosen, a component must be selected in the associated drop-down
list. This list contains all available liquid-phase components. One
component can be selected for each key.

Binary Interaction Parameters

A number of methods in DATACON allow the entry of binary inter-
action parameters. These include equations of state for many prop-
erties and liquid-activity-coefficient models for K-values. These
parameters are entered on the Binary Interaction Parameters dialog
box, which is reached by clicking the Enter Data... button next to
Binary Interaction Parameters on the Thermodynamic Property
Modification-Property Specific Data dialog box. For each column
of the grid, the two components for which the data is being entered
must first be selected from the drop-down list boxes in the first two
rows of the grid.

Depending on the thermodynamic method set which has been

selected, one or more parameters characterize the interaction
between the two components. When the Binary Interaction Param-
eters dialog box is initially brought up, the box at the top of the dia-
log box must be checked in order to enable the grid where
individual binary interaction parameters are entered. For the NRTL
and UNIQUAC methods, there are several different forms of the
binary interaction equations. For the NRTL method, the 5-Parame-
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DATACON 3.1 User’s Guide 7-19
 ter equation is the default form. For the UNIQUAC method, the
default is the 4-Parameter form of the equation. For these two
methods, a different equation form may be selected for each compo-
nent pair from the Equation Format drop-down list, in order to enter
the data in the most convenient form. Depending on the selection in
the Equation Format list, the appropriate rows in the grid become
active. For most equation formats, many active parameters have
default values of 0.0, except for the SRK-Modified-Panagiotopou-
los-Reid, PR-Modified Panagiotopoulos-Reid, Glycol, Sour, GPA
Sour Water, and Amine methods, where the default value for param-
eters cij and cji is 1.0.

Heat of Mixing Data

For the Ideal thermodynamic method, an excess enthalpy method
may be specified on the Heat of Mixing dialog box. This dialog box
is accessed by clicking the appropriate Enter Data... button beside
liquid enthalpy on the Thermodynamic Property-Modification Data
dialog box, checking the check box and then clicking on the
Enter Data... button on the Thermodynamic Property-Modifica-
tion-Liquid Enthalpy dialog box beside the Heat of Mixing data
item. Checking the box on the Heat of Mixing dialog box activates
three radio buttons, and the excess enthalpy calculation method may
be selected by choosing the desired radio button. If either of the
Redlich-Kister Excess Enthalpy methods are chosen, then the
Redlich-Kister binary parameters may be entered on the Binary
Redlich-Kister Parameters dialog box, which is accessed by click-
ing Binary Data... . When entering the Redlich-Kister binary
parameters for any component pair, the Aij field is required and the
other parameters have default values of 0.0.

User-Added Thermodynamic Data

To select a user-added thermodynamic method, select one of the fif-
teen user-added methods from the drop-down list box in the Pri-
mary Method field on the Thermodynamic Data dialog box. The
User-Added Parameters dialog box allows the input of parameters
for user-added thermodynamic subroutines. For each row of the
grid, the parameter number (from 1 to 2600) is entered in the first
column and the parameter value is entered in the second column.

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7-20 Specifying Component, Thermodynamic, and Stream Data
 Defining Transport Properties
Transport property methods are selected in the Thermodynamics -
Transport Properties dialog box which is accessed by clicking
Transport Properties... on the Thermodynamic System - Modifica-
tion dialog box.
Figure 7-9: Thermodynamics - Transport Properties

Transport properties, i.e., viscosities, thermal conductivities, liquid

surface tension, and liquid diffusivities may be selected on a global
basis via radio buttons as: specify individually, pure-component
averages, petroleum based correlations, the TRAPP method, or
user-added methods. Note that the TRAPP method does not predict
liquid surface tension and the petroleum method is used to predict
this property when TRAPP is selected.

Drop-down list can be used to replace any of the global methods,

with these options for the properties:

Vapor viscosities: None, pure-component average, petroleum correlations,

TRAPP method, user-added.

Liquid viscosities: None, pure-component average, petroleum correlations,

TRAPP method, API method, SIMSCI method, Woeflin method user-
added.

Vapor and liquid thermal conductivities: None, pure-component average,

petroleum correlations, TRAPP method, user-added.

Liquid surface tension: None, pure-component average, petroleum correla-

tions, user-added.
Note: The None option for the methods above is available only if the
Specify Individually option is selected for the Transport System.
Liquid diffusivity: None, Wilke-Chang.
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DATACON 3.1 User’s Guide 7-21
 Note: A user-added method is not allowed for liquid diffusivity calcula-
tions.
To select a user-added transport method, select the User-added Sub-
routine option from the list box for a specific property on the Trans-
port Properties dialog box and select one of the five methods from
the drop-down list. The DATACON online help text provides addi-
tional information about the various transport property methods.
More information may also be found in the DATACON Reference
Manual.

Specifying Water Decant Options

When a method set which supports two-liquid phase calculations is
selected via the Thermodynamic Data dialog box, the Thermody-
namics - Liquid-Liquid Options dialog box appears. Radio buttons
on this dialog box may be used to specify that a single liquid phase
only be used in the calculations (the default) or that two-liquid
phase calculations be performed.
For method sets that support water decant, the user may optionally
select to decant water as a pure phase. The methods used for the
decant water calculations are selected via radio buttons in the Water
Options dialog box which is reached by clicking Water Options...
on the Thermodynamic System-Modification dialog box. The fol-
lowing options are available:

Calculation of Water Solubility in Nonaqueous Phase: SIMSCI Method (the

default), Kerosene correlation, Compute from Equation of State (SRK
and PR methods only).

Calculation of Decanted Water Properties: Vapor-Liquid Saturation Values,

Steam Tables.

Optionally, you may also check a check box to use GPSA Data
Book values for calculating the water partial pressure.

More details on decant of free water are given in the online help text
and in the DATACON Reference Manual.

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7-22 Specifying Component, Thermodynamic, and Stream Data
 Table 7-1: Predefined Thermodynamic Method Sets
Most Commonly Used Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Soave-Redlich-Kwong (SRK) SRK SRK SRK SRK SRK API NONE
Peng-Robinson (PR) PR PR PR PR PR API NONE
Grayson-Streed (GS) CP CP CP CP SRK API NONE
Braun-K10 (BK10) JG JG CP CP IDEAL API NONE
NRTL (NRTL) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIQUAC (UNIQUAC) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC (UNIFAC) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Note: CP= Curl-Pitzer method, JG = Johnson-Grayson method, API= API Method
Equations of State Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
BWRS (BWRS) BWRS BWRS BWRS BWRS BWRS BWRS NONE
Peng-Robinson (PR) PR PR PR PR PR API NONE
PR-Huron-Vidal (PRH) PRH PRH PRH PRH PRH API NONE
PR-Panagiotopoulos-Reid (PRP) PRP PRP PRP PRP PRP API NONE
PR-Modified-Panag.-Reid (PRM) PRM PRM PRM PRM PRM API NONE
Soave-Redlich-Kwong (SRK) SRK SRK SRK SRK SRK API NONE
SRK-Kabadi-Danner (SRKKD) SRKKD SRKKD SRKKD SRKKD SRKKD API NONE
SRK-Huron-Vidal (SRKH) SRKH SRKH SRKH SRKH SRKH API NONE
SRK-Panagiotopoulos-Reid SRKP SRKP SRKP SRKP SRKP API NONE
(SRKP)
SRK-Modified-Panag.-Reid SRKM SRKM SRKM SRKM SRKM API NONE
(SRKM)
SRK-SIMSCI (SRKS) SRKS SRKS SRKS SRKS SRKS API NONE
SRK-Hexamer (HEXA) HEXA HEXA HEXA HEXA HEXA API NONE
Lee-Kesler-Plöcker LKP LKP LKP LKP LKP API NONE
Uniwaals (UNIW) UNIW UNIW UNIW UNIW UNIW UNIW NONE
Generalized Correlations Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Braun-K10 (BK10) JG JG CP CP IDEAL API NONE
Chao-Seader (CS) CP CP CP CP SRK API NONE
Chao-Seader-Erbar (CSE) CP CP CP CP SRK API NONE
Grayson-Streed (GS) CP CP CP CP SRK API NONE
Grayson-Streed-Erbar (GSE) CP CP CP CP SRK API NONE
Improved-Grayson-Streed (IGS) CP CP CP CP SRK API NONE
Ideal (IDEAL) IDEAL IDEAL NONE NONE IDEAL IDEAL NONE

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DATACON 3.1 User’s Guide 7-23
 Table 7-1: Predefined Thermodynamic Method Sets
Special Packages Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
Alcohol (NRTL) SRKM IDEAL SRKM SRKM SRKM IDEAL IDEAL
Amine (AMINE) SRKM AMINE SRKM SRKM SRKM IDEAL NONE
Glycol (GLYCOL) SRKM SRKM SRKM SRKM SRKM API NONE
Sour Water (SOUR) SRKM IDEAL SRKM SRKM SRKM IDEAL NONE
GPA Sour Water (GPSWAT) SRKM IDEAL SRKM SRKM SRKM IDEAL NONE
Liquid Activity Vapor Liquid Vapor Liquid Vapor Liquid Vapor
Enthalpy Enthalpy Entropy Entropy Density Density Fugacity
NRTL (NRTL) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIQUAC (UNIQUAC) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC (UNIFAC) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
van Laar (VANLAAR) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Margules (MARGULES) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Regular Solution (REGULAR) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Flory-Huggins (FLORY) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC TDep-1 (UNIFAC TDep-1) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC TDep-2 (UNIFAC TDep-2) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC TDep-3 (UNIFAC TDep-3) IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
UNIFAC Free Volume (UNIFAC IDEAL IDEAL NONE NONE IDEAL IDEAL IDEAL
Free Volume)
Ideal (IDEAL) IDEAL IDEAL NONE NONE IDEAL IDEAL NONE

Stream Data
This section of data is used to specify the thermal conditions and
compositions for all feed streams in the flowsheet. It may also be
used to furnish initial estimates of the composition and thermal con-
ditions for recycle tear streams to enhance recycle convergence.
Supplied data for tear streams or any other streams which are prod-
ucts from unit operations are used as estimates only and always
replaced by the next calculated set of values. Finally, reference
streams may be defined to eliminate thermal recycles.

Compositional streams may be of two types: composition fully

defined in terms of defined components, or pseudocomponents to
be generated from petroleum assay data. Reference streams are
always assigned the composition of the parent stream.
Compositions may be defined on a mole, weight, standard liquid
volume or vapor volume basis, corresponding to typical laboratory
data. It is necessary to provide both a laboratory distillation and
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7-24 Specifying Component, Thermodynamic, and Stream Data
 stream average gravity for petroleum assay streams. Light ends
analyses, gravity curves, and molecular weight curves may option-
ally be furnished to improve the characterization of petroleum assay
streams.

The stream thermal conditions may be specified in a variety of ways

including: defined temperature and pressure, bubble or dew point
conditions, or fraction liquid.

DATACON also allows you to specify the thermal conditions for

non-compositional streams.

Entering Stream Data

You can enter data for a stream on the flowsheet. The data entry
window that appears contains any data you previously entered (as
well as default values) for the selected stream.

To enter data for a stream:

➤ Double-click on the stream, or right-click and select Data

Entry..., or select the stream and choose Input/Data Entry...
from the menu bar.
➤ Select the desired stream operation.
The stream name automatically assigned by the program is dis-
played in the upper left hand corner of this dialog box and may be
edited as desired. If the stream is an intermediate or product stream,
a check box appears on this dialog box so that an initial estimate
may be supplied for the stream.

➤ Select the Stream Type. Your options are:

● Non-compositional

● Composition defined

● Petroleum assay

● Referenced

● Mixed

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DATACON 3.1 User’s Guide 7-25
 Figure 7-10: Stream Data Entry Dialog Box - Feed Stream

Specifying Composition-Defined Streams

To enter composition defined stream data:

➤ Within the Stream Data main data entry window, select the
Composition Defined radio button.
➤ Click Flowrate and Composition to access the Flowrate and
Composition dialog box.
Figure 7-11: Stream Flowrate and Composition

Radio buttons are used to select the stream flowrate basis as: Total
Fluid Rate, or Individual Component Flowrates. A data entry box
adjacent to the Total Fluid Rate button is used to enter the total
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7-26 Specifying Component, Thermodynamic, and Stream Data
 stream flow in mole, mass, standard liquid volume, or standard
vapor volume units.

The stream composition is supplied in a drop-down list, and can be

supplied on a mole, mass, standard liquid volume, or standard vapor
basis. Components not defined are assigned zero flowrates. If the
total fluid rate is not given, the flowrate for the stream is taken as
the sum of the stream composition. DATACON displays a running
total for the composition as it is entered.
When the total fluid rate is supplied and the composition does not
sum to that rate or a rate of 100.00 ± 1.0 or 1.00 ± 0.01 (indicating
composition percentage or fraction) an error is signaled. Optionally,
a check box is provided to normalize the composition based on the
specified total fluid rate, in which case no error is signaled for the
above condition. Flowrates can be supplied either as numeric esti-
mates or as estimated or measured tagnames. Compositions can be
supplied as numeric estimates or as estimated or measured tag-
names.

Composition deviations may be entered on a relative or absolute

basis in the Composition Deviation dialog box. This dialog box is
accessed by clicking Composition Deviation . In addition, by click-
ing Composition Limits , maximum and minimum values for indi-
vidual components may be entered on the Composition Limits
dialog box. You can specify that these limits be fixed or not fixed.

Note: If the stream is referenced to another stream, then the flow-

rate and compositions are optional.

Specifying Stream Thermal Conditions

The thermal condition for all supplied streams except reference
streams must be specified on the Stream Data dialog box. The Tem-
perature and Pressure supplied can be either numeric estimated val-
ues, or you can use a tag name as an estimate or measurement.

Performing Rate Compensation

The rate compensation for the stream may be specified by clicking
Rate Compensation on the Stream Data dialog box. By default,
rate composition is not performed. Other options are Perform Rate
Compensation for Flow Conditions, Perform Rate Compensation
for Fluid Compensation, and Perform Rate Compensation for Flow
and Fluid.
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DATACON 3.1 User’s Guide 7-27
 Specifying Water Decant
Water decant for the stream may be specified by selecting the
Decant option from the Flash Option dropdown list on the Stream
Data dialog box.

Specifying Petroleum Assay Streams

Within the Stream Data main data entry window:

➤ Select the Petroleum Assay radio button.

➤ Click Flowrate and Array to enter the Flowrate and Assay dia-
log box.
The flowrate for the assay stream must be entered in the data entry
field provided as a numeric estimate, or as an estimate or measured
tagname. The cutpoint set for the blend may be selected by clicking
the hypertext string default set of TBP cutpoints to retrieve a list of
the problem cutpoint sets. The pseudocomponent blending option is
selected by clicking the text string included in. This option is the
default and includes the pseudocomponents generated for the
stream in the assay blending for the cutpoint set. The excluded from
option is used when the assay stream is a recycle estimate and the
effect of its estimated pseudocomponents on the assay blend prop-
erties is not wanted. Entry of the various assay data is discussed
below.

Laboratory Distillation
➤ Click Define/Edit Assay... on the Petroleum Assay Stream dia-
log box to enter the Assay Definition dialog box, which is used
to enter the laboratory assay data for the petroleum stream.
➤ Select the type of distillation via radio buttons as: True Boiling
Point (TBP), ASTM D86, ASTM D1160, or ASTM D2887.
The basis for the distillation may be chosen as: Liquid Volume or
Weight. Liquid Volume is the default for all distillations except the
ASTM D2887 which is defaulted as weight. Note that gravity and
molecular weight curves must be on the same basis, volume or
weight, as the distillation curve. The distillation data for TBP,
ASTM D86, and ASTM D1160 are assumed to be at a pressure
basis of 14.696 psia. If not, enter the laboratory pressure in the data
field provided. For ASTM D86 distillations, a Correct for Cracking
check box is provided for application of the API Data Book crack-
ing correction to the distillation temperatures.

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7-28 Specifying Component, Thermodynamic, and Stream Data
 The distillation data are entered in the table provided. At least two
points are required when the cubic spline fitting method is used.
When only two points are given, DATACON uses a probability den-
sity function to fill in the curve. For the quadratic fitting option, at
least three points must be given for TBP’s and five points for other
types of distillations. DATACON needs the entire distillation curve
from zero percent to one hundred percent and extrapolates and
interpolates as necessary.

Gravity Data
The type of gravity data is denoted by radio buttons on the Assay
Definition dialog box as: API Gravity, Specific Gravity, or Watson
K-Factor. The stream average value must be supplied in the data
entry dialog box provided. Optionally, a gravity curve for the stream
may be given by clicking Gravity Curve... on this dialog box to
access the Assay Gravity Curve dialog box which provides a conve-
nient tabular form for entry of the gravity curve.

Molecular Weight Data

A molecular weight curve may be optionally given by clicking
Molecular Weight... on the Assay Definition dialog box to access
the Assay Molecular Weight Data dialog box. This dialog box pro-
vides a tabular form for entry of the molecular weight curve.
Optionally, the stream average value may also be supplied in this
dialog box.

Lightends Data
Lightends data may be optionally provided by clicking
Lightends... on the Assay Definition dialog box to access the
Assay Lightends Data dialog box. The lightends composition may
be entered on a mole, mass, standard liquid volume, or standard
vapor volume basis. Any library component or petroleum compo-
nent that was defined as a PETRO component can be designated as
a lightend. Several choices are available for specification of the total
lightends flow. These choices are selected via radio buttons and are:

Match to TBP Curve: The lightends rate is determined such that the normal
boiling point for the mid percent of the highest boiling lightend exactly
matches the TBP curve. The lightend components are kept in the same
proportions as the supplied composition (the default).

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DATACON 3.1 User’s Guide 7-29
 Fraction of Assay: The lightends rate is a specified fraction of the total
stream rate. A basis of liquid volume or weight may also be selected in
the Basis drop-down list. If no basis is selected, the basis for the distilla-
tion curve is assumed. When this option is chosen and the lightends com-
position does not add to the specified fraction or to 100.0 ± 1.0 or 1.00 ±
0.01 (indicating composition percentage or fraction) an error is signaled.

Percent of Assay: The lightends rate is a specified percent of the total

stream rate. A basis of liquid volume or weight may also be selected in
the drop-down list. If no basis is selected, the basis for the distillation
curve is assumed. When this option is chosen and the lightends composi-
tion does not add to the specified percent or to 100.0 ± 1.0 or 1.00 ± 0.01
(indicating composition percentage or fraction) an error is signaled.

Use Compositions as Actual Rates: The supplied composition is assumed to

be component flows, not fractional or percentage composition.

Lightends Rate: The lightends rate is supplied directly in the data entry
field provided. When this option is chosen and the lightends composition
does not add to 100.0 ± 1.0 or 1.00 ± 0.01 (indicating composition per-
centage or composition fraction) an error is signaled.
Optionally, a check box is provided to normalize the composition
based on the specified total lightends rate, in which case no error is
signaled for a composition total which does not equal fraction, per-
cent or a supplied rate and does not add to 100.0 ± 1.0 or 1.00 ±
0.01.

Stream Thermal Conditions

The thermal conditions for petroleum assay streams are specified in
the same fashion as that already discussed for compositionally
defined streams.

Specifying Reference Streams

A reference stream is a stream of identical composition to its parent
stream. When the composition of the parent stream changes, the
composition of the reference stream is immediately updated to be
the same as the parent stream. This concept is very useful in elimi-
nating thermal recycles in flowsheets.

Reference streams are designated by double-clicking the stream on

the PFD to retrieve the Stream Data dialog box, selecting the radio
button Referenced to Stream, and choosing the parent stream in the
drop-down list. Optionally, a rate may be supplied for the reference
stream. If not supplied, the rate of the parent stream is assumed.

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7-30 Specifying Component, Thermodynamic, and Stream Data
 Optionally, a temperature and pressure may be specified for the ref-
erence stream. If it is not specified, the thermal conditions of the
parent stream are used.

Determining the Composition of Mixed Streams

DATACON allows you to update the composition of mixed streams
by referencing a number of other streams to define the composition
of the mixed stream. In DATACON 3.0, the stream composition is
based on the composition of the streams as specified in the input.
Hence, if the stream compositions of the referenced streams change
during calculations, the mixed stream composition is not updated.
In DATACON 3.1, you can specify whether streams should be
updated and on which iteration the updating should begin. This
option is available in the Calculation Options dialog box.

Specifying Stream Accuracy Factor

The value of the weights for all measurements supplied for the
stream can be supplied in the Stream Accuracy Factor field on the
Stream Data dialog box.

Copying Stream Data

DATACON allows you to copy the thermal and composition data
for a selected stream. Process data for a selected stream can be cop-
ied to a new flowsheet stream or can be used to replace (overwrite)
the currently existing data in another selected stream.
To create a new stream from an existing stream:

➤ Use the cursor to click the desired stream on the PFD.

➤ Choose Edit/Copy from the menu bar.
➤ Click the left mouse button on an unoccupied area of the PFD
main window or select Edit/Select None to deselect the selected
stream.
➤ Choose Edit/Paste to copy the data for the selected stream to
the new stream.
The cursor will change to an arrow with a small visible to indicate
that the PFD is now in stream mode.

➤ Create a new stream by clicking the left mouse button on an

unoccupied area of the PFD main window or on one of the
available exit ports for a unit icon.
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DATACON 3.1 User’s Guide 7-31
 ➤ Drag the mouse to the desired unoccupied area of the PFD or
feed port of another unit.
➤ Release the mouse button to complete the creation of the
stream.
➤ Create additional duplicate streams if desired, or exit stream
mode by clicking the right mouse button or by pressing <Esc>.
The newly created stream(s) will have the same thermal conditions,
composition, and description as the original source stream.
To copy data from one existing stream to another existing
stream:

➤ In the PFD main window, select the desired stream to copy by

clicking on the stream label with the left mouse button.
➤ Choose Edit/Copy from the menu bar.
➤ Click the left mouse button on an unoccupied area of the PFD
main window or choose Edit/Select None from the menu bar to
deselect the selected stream.
➤ Select the desired destination stream(s) with the left mouse but-
ton.
➤ Choose Edit/Paste from the menu bar to copy the data for the
selected stream to the new stream.
The data from the original source stream will be copied to the desti-
nation stream(s), overriding any existing data.

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7-32 Specifying Component, Thermodynamic, and Stream Data
 Chapter 8
Unit Operations

This chapter describes how to use unit operation models. Also

described are the use of utility modules such as the Calculator,
Reaction Data and similar functionalities.

Data Entry Windows for Unit Operations

The data entry window for any unit operation can be accessed by
highlighting the unit on the PFD and selecting the Input/Data Entry
from the menu bar.

Checking the Status of Unit Operation Data

You can check the status of data entry for a particular unit opera-
tion.
To check the status of a unit:

➤ Select the desired unit operation icon on the flowsheet.

➤ Choose Status from the View menu or select Status from the
unit right click menu.
➤ Click Status while in the particular data entry window.
DATACON displays the Status dialog box for this unit.
Numerous types of data entry devices are used to supply numeric
values and select calculation options in DATACON, including Push
Buttons, Radio Buttons, Check Boxes, Edit Fields, Spin Buttons,
Standard List Boxes, Drop-Down List Boxes, Grid and X-Y Grid,
Combo Boxes, Drop-Down Combo Boxes, and Linked Text.

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DATACON 3.1 User’s Guide 8-1
 Grids and the X-Y Grid
Grids are used to supply data in tabular form. There may be several
rows of related data entries.

To add a row, click a row number button and then click Insert . A
row will be added below the selected row.

To deselect a row, click the number button of the previously

selected row, or select a different row.

To clear data entries from a row, click the row number button and
then click Reset .

To remove a row, click the row number button and then click Cut .

X-Y Grids are a special type of grid that are used to supply data for
relational curves. The two grid columns contain an independent
variable (x) and one related dependent variable (y).

Linked Text
Linked text is used to input information in a sentence format.
Numeric values, mathematical operators, stream or unit names, or
various options may be supplied as linked text. Linked text may
serve to access another data entry device.
Linked text is used on this dialog box to define the Specification and
Variable. Note that the Parameter and value link texts are red,
denoting that you must click these strings and provide data entries.
The text string the default tolerance is green, denoting a default
value.
Optionally, a different tolerance may be provided by clicking the
aforementioned text string to open the Specification Tolerance dia-
log box where the appropriate radio button may be clicked to select
a new tolerance type, i.e., relative tolerance.

When the value text string is clicked, a floating point entry field for
the specification value is displayed with a red border signifying
mandatory input. The value you supply is now displayed in blue
numbers instead of the value text string.

Clicking the Parameter text string retrieves the Parameter dialog

box in which the unit or stream and its parameter are defined. The
unit or stream identifier and the parameter for the specification are
now displayed in blue, replacing the Parameter text string.
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8-2 Unit Operations
 Figure 8-1: An Example of Linked Text

Block Diagram
DATACON flowsheets can be organized into a hierarchical struc-
ture. One or more unit operations on a flowsheet can be grouped
into a single icon, simplifying the main flowsheet. Using block dia-
grams in a flowsheet can provide a high-level abstract view of dif-
ferent processes in a plant. Block diagrams may be nested to any
depth.

Block diagrams can be created in three different ways:

■ Clicking the Block Diagram icon on the PFD palette and then
adding units within that subflowsheet,

■ Selecting two or more unit operations (including other block

diagrams) and choose Edit/Collapse from the menu bar

■ Selecting two or more unit operations (including other block

diagrams) and selecting Collapse from the right mouse menu.

Double-click on the block diagram to open a new view of the sub-

flowsheet contained in the block diagram.

Note: You cannot drag a unit operation from a sub-flowsheet view

to the main flowsheet view or vice-versa.

Calculator
The Calculator is a versatile utility module which may be used for a
variety of purposes in flowsheet reconciliation. Parameters may be
retrieved from the flowsheet and calculations performed using a
FORTRAN-like language. Parameters may be returned to the flow-
sheet for use by other unit operations and can be assigned to tags.

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DATACON 3.1 User’s Guide 8-3
 Some uses for the Calculator include:

■ The calculation of special stream properties.

■ Modeling of special processing units such as reactors, etc.

■ Determination of operating conditions to be used for other unit

operations.

■ Performing design calculations using flowsheet information.

■ Producing special output values for reports.

■ Computing utility costs and economic functions.

All calculators have two main sections: setup and procedure. In the
setup section, component and stream parameters are retrieved from
the flowsheet, constants are defined, names are assigned to calcu-
lated results, a sequence table is set up for the streams used for input
and output, and the dimensions for the various working arrays may
be expanded if desired.

The procedure section is where all calculations are performed,

using a simple language based on FORTRAN 77. The language per-
mits the use of mathematical functions, branching and looping, and
assignment statements commonly used in programming. Special
intrinsic functions are available for retrieval of flowsheet compo-
nent and stream information. Special subroutines are provided for
storage of calculated results directly in flowsheet streams. Calcu-
lated results may also be stored in the Results array, making them
available to the other unit operations in DATACON. A special solu-
tion flag is provided for use when a calculator is used to model a
unit operation.

Calculator Setup
Setup is accomplished by clicking Edit/View Declarations on the
Calculator main data entry window.

To retrieve flowsheet parameters into the Calculator parameter

array (designated as the P array):

➤ Click Parameters... .
Clicking the Calculator parameter linked text string provides a dia-
log box to describe the stream or unit flowsheet parameter being
retrieved. The format for this dialog box is identical to that used for
the DEFINE and is described in the SPEC/VARY/DEFINE section of
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8-4 Unit Operations
 this chapter. A list is also given of the unit and stream parameters
which may be retrieved via the DEFINE.

To provide values for constants to be used in the procedure:

➤ Click Constants... and enter the constant numbers and

numeric values in the table provided. Constants are designated
as the C array.
Optional reference names may be furnished for the Calculator
results, which are stored in the R array in the procedure section.

➤ Click Results... and enter the names in the table provided.

To set up a stream sequence table of flowsheet streams which
are referenced in the procedure:

➤ Click Stream Sequence... and select streams from the drop-

down list which lists all streams in the problem.
The stream sequence table has two functions. First, it provides a
necessary link between the procedure and the flowsheet streams for
information flow. Secondly, a calculation loop may be performed in
the procedure for all streams in this table, using the stream position
in the sequence as the index for the loop.

Finally, to enlarge the array sizes for the Calculator storage:

➤ Click Array and change the maximum number of entries for

each of the arrays as desired.
Arrays include the P, C, R, V, IS, and IX arrays. The latter three are
described in the discussion for the Calculator Procedure.
To exit the Calculator setup phase:

➤ Click Hide Declarations .

Calculator Procedure
This section is required and must terminate with a RETURN state-
ment. The various commands are typed directly into the Procedure
field on the Calculator main data entry window. The statements
may be checked as they are composed by clicking
Check Procedure . The various features of the language are dis-
cussed in the following sections.

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DATACON 3.1 User’s Guide 8-5
 Elements of the Language
Each statement may contain up to 80 characters. The ampersand
(&) is used to denote continuation of a statement. Any statement
may be given a unique numeric label from 1 to 99999.

Note: The currency sign ($) is used to denote a comment and not
the letter C as in FORTRAN.

Supplied Arrays
Arrays include the P array, C array, R array, V array, IX array, and IS
array. Use of the P and C arrays has previously been discussed
under Calculator Setup. The V array is a floating point number
working array that may be used on either side of an assignment
statement. The IX array is an array of integer values which may be
used on either side of an assignment statement. A special form of
the IX array, in which the array is named IXn where n is an integer
between 0 and 9 may be used for a loop counter. The IS array
always has the format ISn and is used as an index for loops stepping
through the streams in the Stream Sequence.

Solution Flag
A solution flag, ISOLVE, is provided to denote solution of the Calcu-
lator as a unit operation. Codes are as follows:
0 Calculator not yet executed (default) or has solved successfully.
1 Calculator has solved.
2 Calculator failed to solve, but continue recycle loop calculations.
3 Calculator did not solve- stop all calculations.
5 Calculator solved, but stop all subsequent flowsheet calculations.

Assignment Statements
Syntax for assignment statements is:
nn V(i) = expression
nn R(i) = expression
nn IX(i) = expression
nn ISOLVE = expression
where the expression is governed by standard FORTRAN conven-
tions. Operations are evaluated with the standard priorities given the
various operators in FORTRAN.

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8-6 Unit Operations
 Intrinsic Functions
The following FORTRAN intrinsic functions are supported: ABS,
DIM, EXP, INT, LOG, LOG10, MIN, MAX, MOD, NINT, SQRT, SIN, COS,
TAN, ASIN, ACOS, ATAN, SINH, COSH, and TANH .

Several special DATACON functions are also provided for retrieval

of component and stream properties. Component properties
include:

CMW(cno) Mole weight

CNBP(cno) Normal boiling point
CSPGR(cno) Specific gravity (60F/60F)
CTC(cno) Critical temperature
CPC(cno) Critical pressure
CVC(cno) Critical volume, cc/gm-mole
COMEGA(cno) Acentric factor
Component properties in streams may be retrieved with these
functions:

SCMF(cno,sid) Component mole fraction in stream

SCWF(cno,sid) Component weight fraction in stream
SCVF(cno,sid) Component standard liquid volume fraction in
stream
SCMR(cno,sid) Component molar rate in stream
SCWR(cno,sid) Component weight rate in stream
SCLVR(cno,sid) Component standard liquid rate in stream
SCGVR(cno,sid) Component standard gas volume rate in stream
Stream properties may be retrieved with these functions:
SMR(sid) Mole rate for stream
SWR(sid) Weight rate for stream
SLVR(sid) Standard liquid volume rate for stream
SGVR(sid) Standard gas volume rate for stream
STEMP(sid) Temperature for stream
SPRES(sid) Pressure for stream
Miscellaneous parameters which can be used for loop counters, etc:
MAXC Total number of components in problem
MAXS Total number of streams in the problem
In the above discussion, cno is used to denote component sequence
number and sid denotes stream identifier.
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DATACON 3.1 User’s Guide 8-7
 Stream Property Storage Subroutines
These subroutines may be used to directly store a Calculator result
in a stream. The stream must be in the stream sequence table. The
resultant stream is flashed at the new conditions, composition, etc.,
to properly set the thermodynamic state.

Subroutine SRXSTR is used to set total stream properties.

nn CALL SRXSTR(type, value, sid)
where type is one of the text strings shown below:
SMR molar rate for stream
SWR weight rate for stream
SLVR standard liquid volume rate for stream
SGVR standard gas volume rate for stream
STEMP stream temperature
SPRES stream pressure
Note that value can be a numeric value, or a value as denoted by one
of the array positions, i.e., P(i), C(i), V(i), or R(i). For example, CALL
SRXSTR(STEMP, V(5),S102) sets the temperature of stream S102 to
the numeric value in array position V(5).
The SRVSTR subroutine stores a range of values representing com-
ponent stream properties from a Calculator array into a stream:
nn CALL SRVSTR(type,array,sid,i,j)
where type is one of the text strings shown below:
SCMR molar rate for components i through j
SCWR weight rate for components i through g
SCLVR standard liquid volume rate for components i
through j
SCGVR standard gas volume rate for components i
through j
In the above discussion, array is the initial array position for a
sequence of numbers to be stored in the stream component list.

For example, CALL SRVSTR(SCMR, V(1), S15, 5,15) stores the values
in array positions V(1) through V(11) in the component molar flows
for components 5 through 15 in stream S15.

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8-8 Unit Operations
 FORTRAN Calculational Flow Control Statements
nn GOTO mm
The program branches unconditionally to statement mm.
nn CONTINUE
This statement may be used as a branch destination and is required
as the end of a DO loop.
nn IF (expression) conditional clause
This is the standard FORTRAN logical branching statement where
“expression” may be constructed with the logical operators: .EQ.,
.NE., .LT., .GT., .GE., .LE., .AND., .OR., .EQV., .NEQV., and .NOT.

FORTRAN DO Loops
nn DO mm IXn = i,j,k
nn DO mm ISn = sid1, sid2
For both of these loops, the ending statement is mm CONTINUE.
Indices i, j, and k must be integers. The step k is optional and
defaults to one. ISn requires stream labels sid1 and sid2. These
streams must be present in the stream sequence table.

Print Control Statements

nn DISPLAY R(i,j), P(i,j), C(i,j), V(i,j), IX(i,j), IS(i,j)
Any or all of the supplied arrays may be printed. If the i,j subscripts
are omitted, the entire array is printed.
nn TRACE option
Trace statements print a historical trace of calculations, useful for
debugging. Options are as follows:
ON start trace for every statement which is executed
OFF stop trace
BRANCH trace branching statements only
RETURN always sets trace to OFF

Calculation Termination Statements

nn STOP
This statement stops all flowsheet calculations.
nn RETURN

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DATACON 3.1 User’s Guide 8-9
 This statement signals the end of the calculation procedure and
returns control to the next flowsheet operation. This must be the last
statement for every calculator.

Column
The Column unit operation may be used to model any distillation
process. The column unit does not model reboilers or condensers,
so the Unit Balance Method you specify must not include a heat
balance option if you wish to model reboilers or condensers.

You can use a column in combination with heat exchangers to

model a column with a condenser and/or heat exchanger.

Feeds and Products

The Column unit can handle any number of feed and product
streams, of any composition.

Material and Unit Balance Methods

The Material Balance Basis and Unit Balance Method are optional.
Both use the Default option specified globally unless a different
option is supplied here.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

Flash
The Flash unit may be used to separate any stream into a liquid and
a vapor product in equilibrium with each other.

Feed and Products

A flash operation can have only one feed stream. Both a vapor and a
liquid product are required.

Material and Unit Balance Methods

The selection of the material balance method around the flash drum
is optional. The options are Default, Material, Material+Heat, Mate-
rial+ Component, Material+ Component+Heat, and Material+Com-
ponent+ Heat+VLE. The selection of the unit balance method is

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8-10 Unit Operations
 also optional. The options are Default, Molar, Mass, or Liquid
Volume.

Estimates and Measurements

Temperature, pressure, and duty values may be entered optionally
either as an estimated numeric value, or as a tag name for an esti-
mate or measurement.

Generalized Specifications
DATACON has an extensive system of cross-referencing for flow-
sheet parameters. Flowsheet parameters include operating condi-
tions for the unit operations, calculated results from unit operations,
and stream flows, compositions, and properties. For example, the
calculated temperature for an adiabatic flash and the composition of
a column product stream are both flowsheet parameters.
Most unit operation parameters may be SPECified relative to any
other flowsheet parameter in the problem. A unit operation or
stream performance specification (calculated result) must meet a
desired value, either on an absolute basis or relative basis. By defi-
nition, a SPECification must always be a calculated flowsheet result.
A SPEC has the following general form:
Parameter = value within the default tolerance
A choice for the Parameter and a numeric entry for the value must
be supplied by clicking on the underlined linked text strings.
Optionally, the tolerance basis may be changed from the default to
absolute or relative and the default tolerance value of 0.02 replaced
by direct entry.

➤ Click the Specifications button or select the Specification Data

menu option from the Input menu. The Generalized Specifica-
tions data entry window appears.
➤ Select the Enter Specifications check box.
➤ Click on the Parameter linked text to access the Parameter dia-
log box.
➤ From this dialog box, first select the Stream/Unit from the
drop-down list, and then, select the unit or stream name in the
associated drop-down list.
➤ Click on the Parameter linked text string and select the desired
parameter from the dialog box which is displayed.
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DATACON 3.1 User’s Guide 8-11
 Note: Only those unit or stream parameters which are valid for
use as a SPEC are available.
To create a mathematical expression for the SPEC:

➤ Select the Operator linked text and select an option from the
pop-up dialog box. Choices are as follows:

+Parameter =: Primary parameter plus the reference parameter

(SUM)

-Parameter =: Primary parameter minus the reference parameter

(DIFFERENCE)

/Parameter = : Primary parameter divided by the reference parameter

(RATIO).

xParameter =: Primary parameter multiplied by the reference param-

eter (TIMES).

➤ Select the Reference Parameter:.

➤ Click on the Parameter text string, and select the desired refer-
ence parameter from the list which is displayed.

Note: Only those unit or stream parameters which are valid

for a specification are available.
➤ Click OK to return to the unit specification and click on the
value linked text string to enter the desired numeric value for
the SPEC.

Example 8-1: Temperature of stream S1 = 35.0

unit or stream parameter = a value
| |
| [35.0]
Specification
Unit/Stream Unit Name {Parameter Dialog Box}
[Stream] [S1]
Parameter:
[Temperature]
Note: [ ] denotes user responses.

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8-12 Unit Operations
 Example 8-2: Duty of flash F3/ Duty of flash F4 = 1.0
unit or stream parameter = a value
| |
| [1.0]
Specification
Unit/Stream Unit Name {Parameter Dialog Box}
[Flash] [F3]
Parameter:
[Duty]
Reference: [/ Parameter = ]
Reference Parameter:
Unit/Stream/Constant Unit Name
[Flash] [F4]
Parameter:
[Duty]

Heat Exchanger, Simple

The Heat Exchanger may be used to exchange heat between two
process streams.

Feeds and Products

For reference, streams and products are grouped according to the
side of the exchanger as hot or cold, where the feed stream on the
hot side is cooled and the feed stream on the cold side is heated.
The streams flow countercurrently.

Minimum Temperature Approach

The minimum temperature approach is supplied in the Minimum
Temperature Approach data entry field in the Heat Exchanger dia-
log box as a value or as a tag.

Material and Unit Balance Methods

The Material Balance Basis and Unit Balance methods are both
optional. Both use the Default option specified globally unless a
different option is supplied here.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

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DATACON 3.1 User’s Guide 8-13
 Heater
The Heater unit may be used to heat or cool one or more process
streams. Each heater pass, however, must have only one feed and
one product stream.

Heater Configuration
Passes
The number of passes in the heater is supplied in the Heater Config-
uration dialog box. This dialog box appears when you first lay the
heater unit down onto the PFD.

Duty
You can supply the heater duty as a value or as a tag. For a cooling
duty, enter a negative value. For a heating duty, enter a positive duty.
The duty is equal to the total enthalpy of the product streams minus
the total enthalpy of the feed streams. If a value or tag is not sup-
plied, DATACON assumes a value of zero.
The duty can be specified as Fixed or Not Fixed (default) by click-
ing on the Not Fixed linked text beside the Duty data entry field.

To change the duty to fixed:

➤ Click the Not Fixed linked text to bring up the Parameter Lim-
its dialog box.
➤ Click the Fix Value check box.
For both Fixed and Not Fixed duties, a maximum and minimum
duty can be supplied in the Parameter Limits dialog box, either as a
value, or as a tag.

Material and Unit Balance Methods

The Material Balance Basis and Unit Balance methods are
optional. Both use the Default option specified globally unless a
different option is supplied here.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

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8-14 Unit Operations
 Mixer
The Mixer unit may be used to combine two or more feed streams
into a single product.

Feed and Products

A mixer operation must have at least one feed stream. One product
stream is required.

Material and Unit Balance Methods

The selection of the material balance method is optional. The
options are Default, Material, Material+Heat, Material+Compo-
nent, and Material+Component+Heat. The selection of the unit bal-
ance method is also optional. The options are Default, Molar, Mass,
or Liquid Volume.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

Reaction Data
The Reaction Data Sets data entry window provides a convenient
way to supply the reaction stoichiometry, heat of reaction, kinetic
and equilibrium data, and specify the base component for each reac-
tion. One or more reactions may be saved as separate reaction data
sets and used in the Stoichiometric Reactor.

Note: For consistency with PRO/II, DATACON allows you to

enter kinetic and equilibrium as well as stoichiometric data for a
reaction set. However, DATACON only uses stoichiometric data
for a conversion reaction.
To specify reaction data sets for this simulation:

➤ Click the Reaction Data button on the toolbar or choose Input/

Reaction Data from the menu bar.

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DATACON 3.1 User’s Guide 8-15
 Figure 8-2: Reaction Data Entry Window

Specifying Reaction Sets

A name and description for each reaction data set are provided in
the main Reaction Data dialog box. The name is required, but the
description is optional.

Note: You must define the component list in the Component

Selection data entry window before entering reaction data. This is
because components for each reaction must be selected from the
current component list previously defined.

To enter data for each newly defined reaction data set, or to

modify the data for imported sets:

➤ Click Enter Data for that set.

The Reaction Definitions dialog box for that set appears. In this dia-
log box, you can provide:

■ The name of the reaction data set (required)

■ The reaction stoichiometry (required)

■ The heat of reaction and the base component (required)

■ Equilibrium data (optional)

■ Kinetic data (optional).

■ Defining the stoichiometry

The reaction stoichiometry is defined by clicking on the linked text

Reactants=Products which brings up the Reaction Components dia-
log box. In the Reaction Components dialog box, the user selects
the reactants and products that participate in the reaction and supply
the stoichiometric coefficient for each. You can define the reaction
based on the chemical formula of the component (library compo-
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8-16 Unit Operations
 nents only), or based on the name (for library, non-library, or petro
components).

Defining the Heat of Reaction

You can define heat of reaction data for any selected reaction in a
specific reaction data set in the Heat of Reaction Data dialog box.
The Heat of Reaction Data dialog box appears when you click the
Heat of Reaction button beside the selected reaction on the Reac-
tion Definitions dialog box. In this dialog box, you can choose one
of two options:

■ Calculated from Heat of Formation—allow the program to cal-

culate the heat of reaction based on the heats of formation for
the reaction components. This is the default.

■ User-specified—supply the heat of reaction directly (in units of

energy/weight). If the user supplies the heat of reaction, the ref-
erence temperature, component, and reference reaction phase
may also be optionally supplied.

Note: You are required to directly supply the heat of reaction data
for non-library components that do not have heat of formation
data and is also required to supply the base component for the
reaction.

Specifying Equilibrium Data

To supply equilibrium data for a specific reaction in a reaction
data set:

➤ Click the E... button beside the selected reaction on the Reac-
tion Definitions dialog box. The Reaction Equilibrium Data
dialog box appears (Figure 8-2).
➤ Click on the Define Equilibrium Data check box to enter equi-
librium data.
➤ Supply the following data in this dialog box:

Equilibrium Coefficients: Up to 8 (A-H) coefficients for the equilib-

rium equation (at least one must be supplied).

Units: Temperature units of measure for the equilibrium data may be

supplied by clicking on the linked text (optional, the global units are
used by default).

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DATACON 3.1 User’s Guide 8-17
 Reaction Phase: The reaction phase, Vapor (default) or Liquid.

Note: The units used for the pressure, weight and volume (for the
molar concentration) are the global defaults and cannot be
changed in this dialog box.

Specifying Kinetic Data

To supply kinetic data for a specific reaction in a reaction data
set:

➤ Click the K... button beside the selected reaction on the Reac-
tion Definitions dialog box. The Reaction Kinetic Data dialog
box appears (Figure 8-2).
➤ Check the Define Kinetic Data box to enter kinetic data.
➤ Supply the following data in this dialog box:

Pre-exponential Factor (A): The pre-exponential factor of the power

law kinetic rate equation for the reaction. The default is 1.0.

Activation Energy: The activation energy of the power law kinetic rate
equation for the reaction in units of energy/weight. A default of zero
is used if a value is not supplied.

Temperature Exponent: The temperature exponent of the power law

kinetic rate equation for the reaction. A default of zero is used if a
value is not supplied.

Reaction Phase: The reaction phase, Vapor (default) or Liquid.

Activities are calculated based on the selected phase only.

Liquid Activity Basis: The liquid activity calculation basis—Activity

Coefficient, Molar Concentration (default), or Fugacity (required if
Liquid is selected for the reaction phase).

Vapor Activity Basis: The vapor activity calculation basis—Activity

Coefficient, Molar Concentration (default), or Fugacity (required if
Vapor is selected for the reaction phase).

Component Reaction Order

The default values for the component reaction order (obtained from
the supplied stoichiometry) may be overwritten by clicking
Component Orders on the Reaction Kinetic Data dialog box. This

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8-18 Unit Operations
 action brings up the Kinetic Component Orders dialog box where
the component order for each reactant may be changed.

Splitter
The Splitter can be used to split a single feed into two or more prod-
ucts of identical composition and phase condition. The split fractions
may be specified, if desired, or you can allow DATACON to deter-
mine the splits through a material balance.

Feeds and Products

A splitter can have only one feed stream. A splitter must have two
or more product streams. All product streams have identical compo-
sitions and phase conditions. Phase separation of product streams is
not available in this unit, and, if desired, a Flash unit operation must
be used for this purpose.

Material and Unit Balance Methods

The selection of the material balance method is optional. The
options are Default, Material, Material+Heat, Material+Compo-
nent, and Material+Component+Heat. The selection of the unit bal-
ance method is also optional. The options are Default, Molar, Mass,
or Liquid Volume.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

Stoichiometric Reactor
The Stoichiometric Reactor calculates the heat and material bal-
ances for user-specified simultaneous reactions based on supplied
stoichiometric data. One or more reaction sets must be specified
through the Reaction Data data entry window.

Feeds and Products

The reactor may have one or more feed streams but only a single
product stream is allowed.

Duty
The reactor duty may be entered as a value or as a measured or esti-
mated tag in the Duty field. A positive duty indicates heating while
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DATACON 3.1 User’s Guide 8-19
 a negative duty indicates cooling. Adiabatic operation (i.e., a duty
value of zero) will be assumed if no value or tag is defined.

In addition, the duty supplied may be fixed or be allowed to vary. To

fix the duty, click on the Not Fixed linked text beside the Duty field.
This action brings up the Parameter Limits data entry window.
Selecting the Fixed check box fixes the duty and enables you to
specify the minimum and maximum values allowed (as actual val-
ues or as tags).

Reaction Set
Enter the name of the reaction set to be used by the stoichiometric
reactor. The reaction set must have been previously defined through
the Reaction Data data entry window.

Material and Unit Balance Methods

The selection of the material balance method is optional. The
options are Default, Material, Material+Heat, Material+Compo-
nent, and Material+Component+Heat. The selection of the unit bal-
ance method is also optional. The options are Default, Molar, or
Mass.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

Tank
The Tank module is used to reconcile flow into and out of a tank by
using two tank level measurements taken at different times.

Feeds and Products

The tank may have one or more feed and/or product streams. A
Product tank has only feed streams connected, a Feed tank has only
product streams, and an Intermediate Storage tank has both feed
and product streams.

Volume Accumulation
The flowrate into and/or out of the tank is determined by the differ-
ence between the tank level measurements. You are required to sup-
ply the tank Level, or the tank Weight or Volume contents as a tag
measurement by selecting the appropriate option and clicking on
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8-20 Unit Operations
 the Tag button. You must then supply at least two measurement tag
values with corresponding time stamps (in the format YYMMD-
DHHMMSS, where YY is the year, MM is the month number, DD
is the day number, HH is the hour, MM is the minute and SS is the
second.)

Geometry and Dimensions

If you specify the tank Level option, then you must supply the tank
geometry, i.e., select either the Cylindrical or Spherical tank option.
You must supply the tank dimensions as constant values or as a
function of tank level (i.e., as a Table of values.) For a Cylindrical
tank, you can supply either the Diameter or the cross-sectional
Area. For a Spherical tank, you must specify the Diameter.

Material and Unit Balance Methods

The selection of the material balance method is optional. The
options are Default, Material, Material+Heat, Material+Compo-
nent, and Material+Component+Heat. The selection of the unit bal-
ance method is also optional. The options are Default, Molar, or
Mass.

Note: The Default methods are selected globally in the Calcula-

tion Options dialog box (which is accessed by selecting Input/
Calculation Options... from the menu bar).

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DATACON 3.1 User’s Guide 8-21
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 Chapter 9
Interfaces

DATACON provides three interfaces to interface directly with plant

data historians and databases. Interfaces allow two way data trans-
fer, reading data from the historian and writing reconciled data back
to the historian. The use of different tags for read of raw data and
write-back of measured data is supported. DATACON provides the
following historians:

■ @aGlance/IT™

■ PI®

■ ODBC

Supported Interfaces
DATACON allows you to establish and maintain communications
between the DATACON client and the relevant server. The ability to
extract data from the server system is provided as a generalized
time-stamp and tag name. After specifying the server, you can
browse the list of available tags. Calculated results for a specific tag
name can be exported to the server, along with a generalized time-
stamp stored with the value.

PI
The PI product is a plant information system sold by Oil Systems
Inc. As a data historian, it is capable of handling large historical
records with numerous tags. The server has available over 100 DCS
system interface modules. An API is available, designed for use
with Visual C++ or with Visual Basic.

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 Access to the PI interface is provided for data reconciliation users
currently using PI or requiring an interface to a DCS system that is
provided by PI. The DATACON PI client, through the PI Applica-
tion Programming Interface, can also provide a link to systems of
several different DCS system vendors.

Open Database Connectivity (ODBC)

Access to data from data historians and control systems from vari-
ous vendors is an important enabling technology for integrating all
aspects of a manufacturing environment. Maintaining a direct link
to numerous vendors’ equipment and software is an overwhelming
task. For this reason, Open Database Connectivity (ODBC) from
Microsoft can be used to tie it into a middleware layer that can pro-
vide generalized access to the numerous potential data and control
systems required by data reconciliation clients.

@aGlance/IT
@aGlance/IT, from Intuitive Technology Corporation, is a multi-
platform, client-server enabling technology used to store process
data in various control systems and data historians. @aGlance/IT
data may represent current raw values or calculated or historical
values; they are comprised of a server name, a tag name and an
attribute name.

Server Communication
DATACON provides a new menu option that allows you to select
and activate an external data server. Multiple server connections are
permitted at a time, and the connections remain as long as the
DATACON application is active, or until a server is selected and
closed. The last server selected, the start time and the end time val-
ues are used as the default server for all subsequent external tag data
entries.

Connecting to the Server

Every tag must have a value associated with it. Before a tag is
defined, a connection to the server must have been established.
When the tag is defined, the tag value is requested. Values are
updated when the server selection is changed or the start and end
time specified.

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9-2 Interfaces
 To connect to a server:

➤ Select Server from the File/Import menu. The Server Connect

dialog box appears.
Figure 9-1: Server Selection and Time Slice

➤ Choose the Source Type: PI Data-Archive, ODBC, or

@aGlance.
➤ Choose the appropriate server from the Select Server drop-
down menu. If it is not available, type the server name into the
entry box.
➤ Enter the start and end time for the server (in the year, month,
day, hour, minute, and second fields) to specify the time slice to
use for all tags associated with that server, or allow these to
default.
➤ Check the box next to Attempt to Connect to Server to establish
a connection when you click OK to exit the dialog box.

Note: If the Attempt to Connect to Server option is selected and

the file is saved, the link will be automatically established the next
time the flowsheet file is opened.

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 ➤ Follow the instructions below for the specific server:
For the @aGlance/IT and PI Historian, enter a server name in
the connect call. The server name and machine/node name do
not have to be the same. When a server name is provided, all of
the defined machine/nodes on that server are searched.
For the ODBC interface you are prompted to select a driver or
data source. When connecting to an ODBC data source, you
will be asked to select a table a column used for time. If the
time column in the database or file is named TAGTIME,
RECORDTIME or TIMEVALUE the ODBC interface will automat-
ically select it and you will not be asked to select the time col-
umn.
When selecting the Microsoft Access driver, you must specify a
file or use an existing data source.
The Microsoft Excel driver does not prompt you for a file. You
must use a defined data source or define a new one. The Excel
table must have a table name defined. To define a name, select
the entire table, select Insert/Name/Define from the menu bar
and enter a name for the table.
The text driver does not prompt for a file. You must use a
defined data source or define a new one. When setting up the
text file as a data source you must name the data source, select
the directory, and then define the format. If you do not go to the
Define Format dialog box and define a format, the data source
will not be defined. In the Define Format dialog box, select a
file and define the format. You can also select a delimiting
option—tab delimited or CSV delimited (comma delimited).
The time column must be declared with a format of CHAR and
should be at least 23 characters long. The specified order of the
column names is used in data retrieval. They must be listed in
the same order as the columns in the text file or you will get
incorrect results.

To disconnect a server:

➤ From the Select Server listbox in the Server Connect dialog

box, select the server you want to disconnect.
➤ Uncheck the box beside Connect to Server.
➤ Click OK to cause the connection to the server to be closed.

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9-4 Interfaces
 Troubleshooting
The most common problem that has arisen with the interfaces is the
inability to connect to the server. This includes servers not found,
servers not running, licenses not found or licenses not available.
Other common problems with ODBC are usually associated with
the table being setup incorrectly. These problems are not directly
related to the interfaces or DATACON/OpenYield.
If the server is not found, you need to make sure that the correct
name is being used for the server/historian. If so, then you need to
check that the server/historian is defined on the machine. The histo-
rians come with utilities to define the server/machine that on which
the historian will reside. The @aGlance/IT Historian has a utility
called administration which allows you to define the names of serv-
ers. This utility is run on the client machine.

If the license is not found or not available, this is either a server

installation problem or a server administration problem. The admin-
istrator of the server should check for and set up access to the server,
including freeing user slots tied up by crashes or other problems.

Another problem that has been encountered is the version of the

Historian is different than the libraries that the interfaces have been
built with. The current interfaces have been built against the follow-
ing versions of libraries:

■ PI API version 1.2.3 (PI version 3.1 build 2.81)

■ @aGlance version 3.2

Some common ODBC problems include:

■ A column may not be named TIME or TIMESTAMP, these are

reserved ODBC keywords.

■ An error of syntax error in insert statement (see above).

■ An error of query must be repeatable usually means the file is

read only.

■ An error of can’t expand named range usually means the table

is full or can’t be expanded.

If tags are to be exported with a time that already exists in the table,
the time column cannot be set up as unique.

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 Error Messages
The interfaces make use of utilities provided by @aGlance to
retrieve error messages. These error messages are usually very use-
ful. They are written out to a local file named ssiag.log.

PI does not offer utilities to translate the error codes to error mes-
sages. PI writes messages to a file named pipc.log in the installation
directory (\pipc\dat\). The PI interface also writes messages to this
file that contains either the name of the function where the error
occurred or at the point of action, i.e., connect. The interface mes-
sages are written as SSIPI followed by the message and then the PI
error code. These messages are easier to find and recognize than the
generic PI messages. Using the error code, you must look up the
actual error test in the PI documentation.

Example
Below are examples of error messages taken from PIPC.LOG and
SSIAG.LOG:

PI HISTORIAN
--------------------
Example error messages that the PI Historian and PI interface write to
pipc.log.
PI Interface messages are preceded by SSIPI. Text is looked up in the man-
ual.
Incorrect password:
27-Mar-98 15:45:48
Error in piut_login: -999 ** Request not permitted without login
27-Mar-98 15:46:15
SSIPI.Attempting to connect -102 ** Login cancelled - current error code
upon return to DXI
Incorrect server name:
no error written out from PI
30-Mar-98 14:47:15
SSIPI.Attempting to connect -3 ** Server not found
@aGLANCE HISTORIAN
---------------------------------
Example errors messages that the @aGlance interface writes to
SSIAG.LOG.
Incorrect server name:
Error text = %AAG-E-SRVNOTREG, Server not found

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9-6 Interfaces
 External Tags
Establishing a link is required for creation of external tags. Selec-
tion of tags for external data require the server to be connected and
available to provide a data value. Acquiring the value from the
server is mandatory. External tags can be used in anywhere a regu-
lar tag or level tag are used.

Creating External Tags

To create an external tag:
➤ Click the Edit Tag button on the toolbar, or select Input/Tag
Data from the menu bar. The Tag Modification dialog box
appears.
Figure 9-2: Tag Modification Dialog Box

➤ Click Add External Tag to open the External Tag dialog box.
This option is not available (grayed out) when no server con

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 Figure 9-3: External Tag Data Dialog Box

In the tag name field, enter a tag name or select Browse... to get a
list of available tags on the server.

➤ Enter an export tag name in the Write-Back Name field

(optional) to which the calculation result will be written back to
the server. The export tag name is typically different from the
source tag name. If the export tag name is left blank, no value
associated with this tag will be exported. To activate the Write-
Back option, the Write-Back Name must exist and you must
have access to write back to the historian.
Once a tag name is entered, the tag description is automatically
requested from the server and entered by using the Browse... but-
ton. If the server connection has been initialized (and a time slice
specified) the start and end time is displayed in the dialog box.

Refreshing External Tags

Changing the start or end time in the Server Connect dialog box
causes new data values to be loaded for all external tags. If you
select Keyword File from the File/Import menu to import a file, this
dialog box will be activated if the file opened contains any external
type tag definitions. Selecting Tag Data from the File/Import menu,
loads a new RAW file.

If the RAW file defines any external tags, the server name will be
included. When a server is connected, changing the start and/or end
time will trigger the external tag point values to be updated from the
server.
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 Tags defined on a flowsheet, but for which the current time slice has
no values, or are otherwise unavailable from the server, are flagged
as invalid tags for the reconciliation. This is handled in the same
way as MAN files for the keyword version of DATACON. If no
data values are available for a point within the time-slice specified,
the tag is considered invalid.

Modifying External Tags

External tags can be modified in the same way as the regular tags
and level tags are, through the Tag Data dialog box (in the Tag
Modification dialog box, select the tag name from the Tag List and
click Modify Tag... . Only the description, estimated value, and
write-back fields are modifiable.

Exporting External Tag Values to the Server

You can export external tag values to the server through the Export
dialog box (select File/Export from the menu bar). This option is
inactive (grayed out) until the reconciliation calculations are
complete.
Figure 9-4: Export Tag Data to Server

Only tags for which Write Back Name has been specified will be
sent to the server. Data values are not generally written to the Name
specified as the source for a tag. Exported data is associated with
the time corresponding to the end time of the time slice for which
the reconciliation was calculated. Both types of external tags (exter-
nal level tags and external averaged-value tags) include their recon-
ciled data associated with the end time of the time slice for which
the date was originally requested.

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 When exporting flowsheets with external tag definitions that con-
tain external tags, the tag values are written to the RAW file as nor-
mal or level tags. The association to a server will be lost. For
external tags, the value stored will be the last available value
obtained from the server. The RAW file will have the tag and the
value.

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9-10 Interfaces
 Chapter 10
Running a Reconciliation

This chapter describes how to run a reconciliation, interactively

change the calculation sequence, use breakpoints, and view calcula-
tion history and results.

Using the Run Palette

The DATACON Run palette shown below provides options for data
verification, interaction with the reconciliation (running the recon-
ciliation by stepping through the units) and viewing convergence or
reconciliation results.
To display/hide the Run palette:

➤ Select/deselect the View/Palettes/Run option from the menu

bar. The Run palette appears/disappears on the DATACON
main window.

Run Menu Status Displays the global messages for the current
reconciliation.
Check Checks the input data to determine whether there
Data are any data inconsistencies.
Run Executes the reconciliation, either from the
beginning or from a breakpoint. The Check Data
function is automatically performed, if necessary.
Stop Interrupts or stops the reconciliation while it is
executing. The program completes its current
calculation before stopping.
Messages Displays the calculation history as it is being
produced. This dialog box can be displayed when
the DATACON calculation engine is executing the
reconciliation, in which case, the history will be
updated as the calculation proceeds.
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 If all required input data have not been provided when you choose
the Run button, DATACON will display a warning message telling
you which data are incomplete.

Checking the Reconciliation Status

Use the Status button to display the Flowsheet Status dialog box.
This dialog box allows you to view the global status messages for
the current reconciliation. This button is highlighted as a selectable
operation only if Check Data has been previously invoked either
directly from the palette or indirectly from execution of the Run
operation. The following colors around the Status button indicate
the Check Data results:

■ A red border indicates that errors were found.

■ A yellow border indicates that warnings were generated.

■ A black border indicates that no errors were found when Check
Data was last performed.
To see the current global status messages for your reconcilia-
tion:

➤ Choose Status from the Run palette. The Flowsheet Status

dialog box appears. The Check Data results appear in a scrolla-
ble window.
Figure 10-1: Flowsheet Status

If errors were detected, you must correct your reconciliation data.

➤ Choose Close to exit the Flowsheet Status dialog box.

➤ Correct your reconciliation errors.
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10-2 Running a Reconciliation
 If no errors were detected, click Run Simulation .

Running a Flowsheet
When you begin executing the reconciliation, the flowsheet conver-
gence can be viewed in a Messages dialog box by clicking on the
Messages button on the Run palette. You can close this dialog box
by clicking again on the Messages button or by double-clicking
on the Message dialog box’s control-menu box.

Use Run to begin executing the reconciliation. The program starts

from:

■ The first unit, if this is the first run;

■ The unit at which the calculations were stopped;

■ The unit you selected using the Goto option.

The Run option automatically runs Check Data.

Starting the Execution

To begin executing the reconciliation:

➤ Click the Run button, or choose Run from the Run palette.
When stepping through or stopping reconciliation execution, you
may choose to examine the status of the reconciliation.

➤ Select the Status button from the Run palette.

If the run encounters problems, warnings will appear in the Flow-
sheet Status dialog box. You have the option to close the dialog box
and correct the warnings or continue the run by clicking
Run Simulation .

A report is automatically generated when you execute a reconcilia-

tion. DATACON appends an .OUT extension to the current file name
and saves the file in the USER directory.

Stopping the Execution

Use Stop to interrupt or stop the reconciliation while it is execut-
ing. The program completes its current calculation before stopping.
To stop or interrupt reconciliation execution:

➤ Click the Stop button, or choose Stop from the Run palette.
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 The unit after the calculation stops becomes the current unit.

Viewing the Calculation History

Use the Messages button to view the calculation history that has
been produced so far. This can be used while the reconciliation is
executing, after the reconciliation finally ends, or when the recon-
ciliation reaches a break-point.

To view the calculation history for the reconciliation thus far:

➤ Choose Messages from the Run palette.

The Messages dialog box appears. This dialog box consists of data
in a multi-line dialog box that is continuously updated. You can
move the Messages dialog box to any location on you screen.

➤ Choose Messages or use the control-menu box to close the

dialog box.

Running Files in Batch Mode

You can execute one or more DATACON ASCII keyword input files
or flowsheet reconciliation files in batch mode from within
DATACON.

The keyword input file may be one that was created using a text edi-
tor or word processor, or one that was previously created using the
Keyword File Export capability. You can also execute flowsheet
simulations that were created using DATACON from the GUI, or
were created by importing a DATACON keyword input file.

The batch execution of keyword input files or reconciliation files

generates the standard DATACON ASCII output file for each of the
selected files.

While executing reconciliation problems in batch mode, you can

continue to work with other Windows applications. You can termi-
nate the currently executing problem or the batch execution mode
completely by pushing the Terminate Current Problem or
Terminate Batch Run buttons, respectively.

To select a DATACON keyword input file, reconciliation file (or

group of files), or a previously stored execution list file:

➤ Close the currently open reconciliation.

➤ Choose File/Run Batch from the menu bar.
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10-4 Running a Reconciliation
 The Run Batch - Input and/or Simulation Files Selection dialog box
appears.
Figure 10-2: Run Batch - Input and/or Simulation Files Selection

Initially there are no keyword input (*.INP) or reconciliation files

(*.DC1) displayed in the File Sequence dialog box. There are two
methods of adding keyword input or reconciliation files to the file
sequence list:

➤ Select the files explicitly by clicking Add Files... , or

➤ Load a previously saved list of files by clicking Load List... .

To select the desired keyword input or reconciliation files:

➤ Click Add Files... .

DATACON displays a list of available existing keyword input files.
The default file type is keyword files (*.INP). You can change the file
type to reconciliation file (*.DC1) using the Files of type drop-down
list.

➤ Type or select the name of the file that you want to execute.
You can select multiple files within a given directory. Only the
keyword input files highlighted in the currently selected direc-
tory will be added to the list of files to execute when you exit
this dialog box.
➤ Click OK to validate your selection and return to the Run
Batch - Input and/or Simulation Files Selection dialog box.
To load an existing list of input and/or reconciliation files:

➤ Click Load List... .

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 DATACON displays a list of available existing execution list files.
The default file type is Run Batch List (*.LST). These files contain
the complete path and name of keyword input and reconciliation
files in the execution order previously specified by the user.
An example of the typical contents of an execution list file is given
below:
C:\SIMSCI\DATACON\USER\CASE1.INP
C:\SIMSCI\DATACON\USER\CASE2.INP
C:\SIMSCI\DATACON\USER\CASE3.INP
Execution list files may include comment lines (beginning with a
semicolon ;), and include list file directives given by #include fol-
lowed by the .LST file name. An example is given below:
; This is a comment
C:\SIMSCI\DATACON\USER\CASE1.INP
C:\SIMSCI\DATACON\USER\CASE2.INP
; The following list file to be loaded
; contains flash problems
#include flash.LST

Note: The #include directives may be nested, e.g., in the example

above, flash.LST itself could contain the directives #include
flash1.LST and #include flash2.LST.
Figure 10-3: Run Batch - Load File List

➤ Type or select the name of the execution list file that you want
to load. You can select multiple list files within a given direc-
tory. Only the list files highlighted in the currently selected
directory will be used to create the list of keyword input and
reconciliation files to be executed.
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10-6 Running a Reconciliation
 ➤ Click OK to validate the selection and exit the dialog box.
When you return to the Run Batch - Input and/or Simulation Files
Selection dialog box, the contents of the previously selected execu-
tion list file(s) will have been expanded and are now displayed in
the File Sequence list. Selected files will be added to the bottom of
the list of previously selected files displayed in the File Sequence
list.

Revising the File Execution Sequence Order

You can revise the order in which the selected files are to be exe-
cuted using the Remove , Move Up , Move Down , Move Top
and Move Bottom buttons.

To delete a selected file from the execution sequence list box:

➤ Select the desired keyword input and/or reconciliation file(s).
➤ Click Remove .
The selected file(s) is removed from the execution list.
To move a selected input file upward or downward in the execu-
tion sequence list box:

➤ Select the desired keyword input and/or reconciliation file(s).

➤ Click Move Up or click Move Down .
The selected file(s) will be moved upward or downward one posi-
tion in the execution sequence.
To move a selected input file to the top or bottom of the execu-
tion sequence list box:

➤ Select the desired keyword input and/or reconciliation file(s).

➤ Click Move Top or click Move Bottom .
The selected file(s) will be moved to the top or bottom of the execu-
tion sequence.

Creating an Execution File List

You can store a list of keyword input or reconciliation files as an
Execution File List that can be retrieved and executed at a later date.

➤ Click Select from Lists... .

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 DATACON displays the Run Batch - Save File List As dialog box
containing the execution file list options.

➤ Enter a name for the Execution List File.

➤ Click OK to store the list as a *.LST file in ASCII format.

Executing the List of Selected Keyword Files

When you return to the Run Batch - Input and/or Reconciliation
Files Selection dialog box, you can begin the execution of the spec-
ified file list. To start the batch mode execution of the list:

➤ Click OK .
The specified list will be executed in the order shown in the File
Sequence box. During execution, messages are displayed in the Run
Batch - Execution Summary dialog box (Figure 9-4).
Figure 10-4: Run Batch - Execution Summary

When the execution is complete, a message will be displayed to

notify you that the batch mode execution has been completed.

Terminating the Execution List

You have the choice of terminating the currently executing reconcil-
iation problem, or terminating the batch mode execution com-
pletely.

To terminate batch mode execution of selected keyword files:

➤ Click Terminate Current Problem to terminate the currently

executing problem.
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10-8 Running a Reconciliation
 The problem execution will stop after the current unit calculations
are complete.

Note: You can terminate an executing problem only during

calculation.

To terminate batch mode execution completely:

➤ Click Terminate Batch Run to end the execution.

Results of Batch Execution of Keyword Input (*.INP) Files

By default, the program deletes the reconciliation files that remain
after batch mode execution of specified keyword input files (*.INP).
The standard DATACON ASCII output report will be located in the
corresponding .OUT file(s).

Results of Batch Execution of Reconciliation (*.DC1) Files

By default, the program will not delete the reconciliation files that
remain after the batch mode execution of specified reconciliation
files (*.DC1), or the ASCII format standard output report located in
the corresponding .OUT file. There are two ways to view the output
results generated for each reconciliation file executed via the batch
mode execution of DATACON.

You can open the resulting reconciliation file(s) with the File Open
command, and then proceed to generate reports and/or modify the
reconciliation flowsheet as desired using DATACON.

You can look at the resulting output report file (filename.OUT) with
any ASCII-capable text editor or word processor.
Regardless of which type of file (keyword input or reconciliation)
was executed in batch mode, you can always edit the corresponding
standard ASCII output files (*.OUT) that are generated during the
batch mode execution.
These files can be viewed and/or edited with any ASCII text editor
or word processor (for example, using the Programmer’s File
Editor).

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 Chapter 11
Analyzing the Output

This chapter describes how to select, generate, and view reports,

and how to generate and print plots. Printer setup is also described.

Defining the Output Format

DATACON provides a variety of report options for streams, unit
operations and dimensional units. You can change the output format
of a report for any solved simulation without re-executing the
reconciliation.

To define the output format:

➤ Choose Output/Report Format from the menu bar. The Report

Format menu appears with options for Units of Measure, and
Print Options.

Setting Units of Measure Report Options

In addition to the global, problem and unit level default units of
measure you set for input data, you can also set Problem Units of
Measure for output reports. You can change the output values for all
the fields by applying a different units of measure set or you can
make individual value adjustments.

To set units of measure for output reports:

➤ Choose the Units of Measure menu item from the Report For-
mat menu. The Default Units of Measure for Problem Output
Report dialog box appears.

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 Figure 11-1: Default Units of Measure for Problem Output Report

➤ If you choose One Output Report in Output Units from the Out-
put Report(s) to be Printed list, this dialog box (i.e., all the but-
tons are accessible) becomes active.
➤ Click Initialize from UOM Library... to extract default values
from another set or replace the default values as necessary.
➤ Optionally, click Standard Vapor Conditions... to change the
vapor condition settings for this problem.
➤ Specify the desired standard vapor conditions and click OK .

Reports
This section describes the report options available in DATACON.
Use this as a guide for selecting the reports you want to generate.

DATACON Output Files

OUT File
The *.OUT file is always printed and consists of the following:

■ Input file echo and input error messages if any

■ General information and statistical tests

■ Stream report
■ Heat exchanger duty and UA values
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11-2 Analyzing the Output
 ■ Splitter report

■ Heater report

■ Tank report

■ Reactor report

■ Flash unit report

■ Plant Data report

■ Calculation statistics

Three additional reports can be generated in the Results section of

the * .OUT file:

■ Error Analysis report

■ Error Propagation report

■ Unit Balance Summary report

Error Analysis Report

On a stream by stream and then unit by unit basis, an Error Analysis
report contains information on the accuracy of the reconciled val-
ues, and the detectability and estimated magnitude of gross errors.

Error Propagation Report

An Error Propagation report is a stream by stream and then unit by
unit report where for each stream all of the measured variables
which are not nonredundant and all of the unmeasured variables
which are not unobservable are listed. This report lists the so-called
matrix of contribution to the variances of reconciled values.

Unit Balance Summary Report

A Unit Balance Summary report prints the feed and product streams
and the types of balances are printed for each unit. Stream flow-
rates, heat rates, and overall feed and product rates are also
included. The report also lists unit by unit the actual types of bal-
ances that were carried out in computation, and the corresponding
calculation basis.

* .ADJ File
The ADJ file reflects the tag names and the reconciled values for the
measured variables. The purpose of this file is to interface to
another application, such as an optimization program, providing
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 reconciled data and calculated values via tag names. This file also
includes all the calculated values listed by constructed tag names.
The calculated values include measured, unmeasured, fixed, and
eliminated variables for both streams and units. The dimensional
units are also included as part of the output in this file.

The .ADJ file also lists the standard deviations and measurement test
statistics (Z-statistics) of all measurements using constructed tags.

*.ERR File
The ERR file lists the measurements that were eliminated and their
measured and calculated values.

*.ZFL File
The ZFL file reflects mainly information about measurements which
f ailed the measurement test. The purpose of this file is to aid in ver-
ifying that automatic error elimination chooses the correct variables
to eliminate. If automatic error elimination is in effect, then this file
shows results of the measurement test before and after elimination
takes place.

Generating a Report
An report is automatically generated when you execute a reconcilia-
tion. DATACON appends an .OUT extension to the current file name
and saves the file in the USER directory. Report selections are made
in the Report Options dialog box obtained by selecting Output/
Report Format/Print Options from the menu bar.
Figure 11-2: Print Options

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11-4 Analyzing the Output
 Viewing a Report
To view a previously generated report of the current
reconciliation:

➤ Choose Output/View Report from the menu bar.

Figure 11-3: An Example of an Output Report

To view a previously generated report for any reconciliation:

➤ Choose File/Open from the menu bar.

➤ Select Report Files in the List Files of Type list and choose the
desired file.

Printing a Report
To print the report:
➤ Print from your text editor while viewing the report, or
➤ Choose File/Print from the menu bar.
➤ Select Report in the Print drop-down list box in the Print dialog
box.
➤ Click OK .

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 Spreadsheet Tools
The Tools/Spreadsheet menu item can be used to start a spreadsheet
tool. The list of currently installed tools will appear in a side menu.
Spreadsheet tools are Microsoft Excel template files and macros
that can read information in the DATACON reconciliation database
to generate reports or perform additional on-the-spot calculations.
They can also update data in the reconciliation database itself using
data from an Excel spreadsheet.

Note: You must have Microsoft Excel installed on your system to

use these tools.
DATACON comes preinstalled with some default spreadsheet tools.
They can be used to create tables of reconciliation data.

To create spreadsheets of component flowrates or reconciliation

data:

➤ Select the appropriate option under the Tools/Spreadsheet

submenu.

Plots
DATACON can generate and display assay stream analysis plots.
Plots can be displayed using DATACON’s Plot Viewer, Microsoft
Excel, or the Gnuplot plotting program.

Setting Up the Plot Driver

DATACON can display plots using its internal Plot Viewer or
Microsoft Excel (through version 7). The DATACON Plot Viewer is
a built-in utility that also prints plots.

Microsoft Excel provides a complete set of formatting features.

With Excel you can change plot colors, axis titles, and other
attributes to create a presentation-quality graph.
To select and configure the plot driver:

➤ Choose Options/Plot Setup on the menu bar to open the Plot

Setup dialog box.

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 Figure 11-4: Plot Setup Dialog Box

DATACON’s installation procedure will set up the options in this

dialog box. Select the desired plot driver using the list box. If you
need to configure the currently selected plot driver, click Setup to
display the Setup Plot Driver dialog box. You cannot configure the
DATACON Plot Viewer (option SIMSCI).
Figure 11-5: Setup Plot Driver Dialog Box

The configuration options are as follows:

Driver File: The complete path and filename of the dynamic link
library (DLL) for the plot driver.

Driver Function: The function name to invoke the driver.

Command Line: The full command line to invoke the plotting application.

Options: Additional driver-specific options.

The Plot Viewer

DATACON’s Plot Viewer utility lets you view a plot, print it, copy it
to the clipboard, and export its data to a file. Modifications of plot
attributes are not supported. If you want access to comprehensive
editing and formatting features for your plot, choose the Excel plot
driver.

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 Saving, Printing, Exporting, and Copying Plots
To save a plot:

➤ Choose File/Save As from the Plot dialog box menu.

➤ Enter the desired plot file name and click OK .
You can send a plot from the Plot dialog box to your plotter.

To send a plot to the plotter:

➤ Choose File/Print from the Plot dialog box menu.
To export a plot to an ASCII file:
➤ Choose File/Export from the Plot dialog box menu.
➤ Select the file type (tab- or comma-delimited) and click OK .
To copy the plot image to the clipboard:
➤ Choose Edit/Copy from the Plot dialog box menu.

Setting Up the Printer

To set up the printer:
➤ Choose File/Print Setup from the menu bar.
➤ Select a printer.
➤ Select paper orientation and size and click OK .

Printing a Flowsheet Diagram

To print a flowsheet diagram:
➤ Choose File/Print from the menu bar.
➤ Select the range of pages and click OK .

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11-8 Analyzing the Output
 Chapter 12
Customizing the PFD Workplace

This chapter surveys the customization of PFD appearance. You can

control unit and stream appearance, modify the stream property
tables, and set the font style used on your PFD.

Changing Unit Style

You can specify a different icon, name, or label starting number for
any unit operation. These changes affect all unit operations that you
subsequently place on the PFD.

Changing the Unit Icon Globally

To change the style of a unit globally:

➤ Choose Options/Drawing Defaults/Unit Display… from the

menu bar. The Unit Style dialog box appears.

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 Figure 12-1: Default (Global) Unit Style Dialog Box

➤ Select the type of unit operation you want to change.

➤ Enter your changes for the label format and starting number.
The text portion to the left of the % sign is the label displayed with
the unit number. The label may not contain spaces or underscores.
The integers following d are appended to the automatically applied
sequential unit numbers. You may also choose the starting number
for the particular unit. For example, if the Auto Label Format for the
Flash unit operation were FLASHUNIT%d05, subsequent flashes
placed on the PFD would be labeled FLASHUNIT105,
FLASHUNIT205 , FLASHUNIT305, and so forth.

You can also modify the type face and type size used in the stream
label as discussed below under the topic Changing the Default Font.

Changing the Unit Icon for a Single Unit

You can specify a different display icon for any unit operation cur-
rently shown in your flowsheet. Some unit operations can be repre-
sented by several different icons. This choice is particularly useful
when different variants of the same unit operation are being
modeled.

To change the style of a single unit:

➤ Right-click on the icon of the unit you wish to modify. The unit
menu appears.

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12-2 Customizing the PFD Workplace
 ➤ Select Display... from this menu (or select Edit/Display Style…
from the menu bar) to open the Unit Style dialog box for the
selected unit type as shown in Figure 11-2.
Figure 12-2: Display Style Dialog Box

➤ Select an alternative icon from the palette at the top of the dia-
log box and click OK to confirm the change.
You can also change the type face, type size and color of the unit
label by choosing Select... to access a standard font editing dialog
box.

Changing the Label for a Particular Unit

DATACON automatically labels each unit you place it on the PFD.
You can change the label for each unit without altering the number-
ing sequence.

To change a unit label:

➤ Double-click on the unit on the PFD.

➤ Type over the existing Unit label in the data entry window.
➤ Commit the change by pressing OK .

Changing Stream Style

You can modify stream appearance by changing:

■ The height, width and fill of the arrows

■ The segments on which the arrows appear

■ The starting number

■ The stream label location and border

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DATACON 3.1 User’s Guide 12-3
 ■ The label format and type (name or list of properties)

■ The contents of the property list (material balance, gas report,

comparative molars rates, etc.).

To globally change the stream style:

➤ Choose Options/Drawing Defaults/Stream Display… from the

menu bar to open the Stream Style dialog box.
Figure 12-3: Stream Style Dialog Box

By default, stream labels have rectangular borders and appear on

the stream line. Optionally, you may select (1) diamond-shaped or
circular label borders, or, alternatively, no label border at all, and (2)
the position of the label relative to the stream. You can change the
appearance of the arrows and where the arrows appear on the pro-
cess stream.

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12-4 Customizing the PFD Workplace
 Figure 12-4: Default Stream Style

Figure 12-5: Modified Stream Style

Displaying Stream Properties on Stream Labels

DATACON allows you to display various stream properties on
labels attached to the streams on the PFD. Display options include:

■ Selecting a global default property list for all stream labels in

the flowsheet
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 ■ Positioning stream property labels anywhere on or beside the
streams on the PFD

■ Choosing the type of border for any label

■ Choosing a different font for any label

To display stream properties on the PFD as a global default:

➤ Choose Options/Drawing Defaults/Stream Display… from the

menu bar to open the Stream Style dialog box.
➤ From the Stream Label Type drop-down list choose the Proper-
ties option.
➤ Choose one of the predefined property lists and click OK to
commit your choice. Your options are Material Balance to dis-
play input and calculated temperature and pressure or Datacon
All Properties to display input and calculated flowrates, tem-
perature, pressure and mole fractions.
The property list that you have selected will appear on all streams
subsequently drawn on the PFD.
To change the stream appearance in one reconciliation file only:

➤ Use a selection rectangle (click on the magnifying glass on the

toolbar) to enclose the streams.
➤ Select Display... from the right click menu.
➤ Choose one of the predefined property lists and click OK to
commit your choice.

Specifying a Default Editor

You can specify a default editor (such as Brief, Edit or Notepad) for
use with DATACON to display output reports and keyword input
files. Using the editor, you can save any displayed text to a file or
printer. The default editor is the Programmer’s File Editor (pfe.exe).

To specify a default editor:

➤ Choose Options/Editor from the menu bar to open the Set Text
Editor dialog box.
➤ Enter the full path name to the editor executable program file.

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 Figure 12-6: Set Text Editor

Changing the Default Font

The default font option enables you to set the default font, font style
and size used in DATACON’s main and data entry windows. This
option is useful if the default font size for your system is too large
for DATACON’s data entry windows.

Note that you cannot change the fonts for the title, menu, and status
bar text. Also, changing the font size will not change the size of
DATACON’s dialog boxes.

To specify the default font:

➤ Choose Options/Font from the menu bar to display the Font

specification dialog box.
➤ Choose the desired font, font style, and size.
Figure 12-7: Font Dialog Box

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 Appendix A
Technical Reference

The statistical tests used by DATACON are based on the properties

of normally distributed random variables. This chapter provides a
quick review of random variables.

Random Errors
Plant measurements are subject to both gross and random errors.
Gross errors are a result of miscalibrated instrumentation, process
leaks, sensor failure, and other fixable problems. These errors can
be removed by simply calibrating the instrumentation, plugging the
leaks, and/or repairing the sensors. Departure from steady state is
another type of gross error, which is more difficult to handle. For
that reason, it is important for DATACON to use data coming from
steady state plant operation. For this discussion, assume the mea-
surements contain no gross errors.
Errors in plant measurements are random. You cannot know their
precise value (knowing the value of the error is equivalent to know-
ing the true measurement value), however, you can make statements
like there is a 95% chance that the true flowrate lies between 100
and 110 lb/hr. This might be reported as flowrate=105±5 lb/hr. For
the discussion that follows, regard the true measurement as the
actual measurement plus an error, X:
True value = Measured value + X
Ideally the error is zero so that the measured value equals the true
value. In practice, this is not true, but the desire is that X is small for
a reasonably accurate and well-calibrated instrument. If you
recorded thousands of measurements for the same quantity, you
would expect most of them to be centered about the true value, with
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DATACON 3.1 User’s Guide A-1
 very few of them being much larger or smaller than the mean value.
In other words, the average error is zero.

Note: DATACON’s statistical tests assume that random measure-

ment errors are normally distributed about zero.

Note that the above assumption is supported by the 30% rule of the
information theory, which states that if the standard deviation of
measurement errors are less than 30% of their corresponding mea-
surement values, the least-prejudiced probability distribution coin-
cides with the multivariate normal distribution.

Normal (Gaussian) Distribution

Normally distributed means that the PDF is Gaussian and follows:

1  ( X – X ) 2
F ( X ) = --------------  -------------------
-
σ 2π  2σ 2 

where X is the mean value of the random variable, X, and σ is the

standard deviation. The errors are expected to be zero on the aver-
age, X = 0 for the measurement error density function. Figure A-1
shows a Gaussian PDF with a mean of zero and a standard deviation
of 1.
Figure A-1: Normally Distributed Random Errors

0.4

exp( − X 2 / 2 )
0.35
F( X ) =
2π
0.3

0.25
F(
X) 0.2
1bUQ- )%c_
0.15
)%`b_RQRY\Ydi %`b_RQRY\Ydi

0.1 lHl,!)& lHl.!)&

0.05

0
-4 -3 -2 -1 0 1 2 3 4
X

Some properties of the Gaussian PDF include:

■ The maximum value of F(X) occurs at the mean, X.

■ The standard deviation determines the width of the curve. A

very accurate instrument (small σ) has very small errors, and its
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A-2 Technical Reference
 ∞
1
■ The --------------
σ 2π
term normalizes the density so that ∫– ∞ F ( X ) d X = 1.

■ It is symmetric about the mean. For example, the probability of

undermeasuring a flowrate by 1 lb/hr is the same as the proba-
bility of overmeasuring it by 1 lb/hr.

■ The probability of a measurement error lying between X1 and

X2 is:
X2
∫X 1 F ( X ) d X X2
P ( X1 < X < X2 ) = ---------------------------- =
∞ ∫X1 F ( X) dX
∫– ∞ F ( X ) d X
■ 68% of the measurements should have errors within one stan-
dard deviation of the mean (zero), that is:
∞
P ( –σ < X < σ ) = ∫– ∞ F ( X ) d X = 0.68

Similarly, as illustrated in Figure A-1, 95% of the errors should lie

within 1.96 standard deviations. This is often called the 95% confi-
dence interval. The 99% confidence interval occurs within 2.58
standard deviations of the mean.

Data Reconciliation
DATACON combines general statistical techniques with a sophisti-
cated optimization algorithm to ensure that the measured data sat-
isfy the conservation equations and any imposed constraints. To
keep the description simple, only conservation of mass is discussed.
In reality, DATACON is fully capable of reconciling the measure-
ments with any complete plant model, containing mass, energy,
component conservation, vapor-liquid equilibrium, and so on.

Figure A-2 shows a simple flowsheet containing one measured feed

rate and two measured product rates. Let X1, X2, and X3 be the mea-
sured flowrates. Due to uncertainty in the measurements, these val-
ues will not satisfy the conservation of mass constraint: X1 + X2 - X3
= 0. If they do conserve mass, then someone has probably already
adjusted the data.

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DATACON 3.1 User’s Guide A-3
 Figure A-2: Simplified Flowsheet
H!\RXb

=Qcc2Q\Q^SU*

H#\RXb H!H"H#-

H"\RXb

DATACON seeks to find an improved solution, x that conserves

mass and is close to the original measurements. Figure A-3 shows a
graphical interpretation of this concept. The conservation of mass
equation is a two dimensional plane in the three dimensional space
of flowrates. Points (measurements) on the plane labeled X1 + X2 -
X3 = 0 satisfy the conservation of mass constraint. As you can see,
the measured flowrates lie off of the plane indicating that they do
not satisfy the mass balance constraint. DATACON finds the point
on the plane, x, that is closest to the original measurement, Xˆ .

Figure A-3: Graphical Representation of Data Reconciliation

=UQcebUT
( X$ 1 , X$ 2 , X$ 3 ) = X$
δ
H
#
BUS_^SY\UT
( x1 , x 2 , x 3 ) = x
X1 + X2 − X3 = 0

H! H"

In more formal mathematical terms, data reconciliation seeks to

find a mass-conserving x such that:

2
Minimize Xˆ – x (A-1)
x conserves mass

Thus data reconciliation is a constrained optimization problem. The

constraints are the conservation laws, which are in general a large
set of nonlinear equations that the reconciled solution must satisfy.

DATACON carries out its optimization using a Successive Qua-

dratic Programming (SQP) algorithm.

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A-4 Technical Reference
 The function we are trying to minimize is called the objective func-
tion. In data reconciliation the goal is to minimize the correction to
2
the measured data. The objective function is Xˆ – x , or equiva-
lently, δ 2 . The symbol is called a norm—a generalized dis-
tance, or length. Equation (A-1) states: Find x that conserves mass
and is a minimum distance (squared) from the plant measurements.
In Figure A-3 this corresponds to finding the shortest vector, δ, that
connects the measured point to the mass-conservation plane.

When all of the measurements are independent and have the same
degree of uncertainty, the norm is the standard Euclidean distance:

2 2 2 2
Xˆ – x = ( Xˆ 1 – x 1 ) – ( Xˆ 2 – x 2 ) – ( Xˆ 3 – x 3 ) + ... (A-2)

For convenience, the square of the distance is minimized, which is

equivalent to minimizing the distance. You may recognize this min-
imization as the least squares problem. Notice that the distance is a
minimum (zero) when the measurements are unchanged,
x = Xˆ . This is of course not a valid solution because the measured
values, Xˆ , do not generally conserve mass.

The goal is to keep the function as small as possible, but the mea-
sured values must be adjusted to satisfy the conservation equations.
These adjustments may actually increase the value of the objective
function; this mismatch between the reconciled and measured val-
ues is simply the penalty paid to enforce the mass conservation.
Clearly more importance is placed on conserving mass than pre-
serving plant measurements, which is known to have a degree of
uncertainty. The goal is to reach the mass-conservation plane while
paying the least penalty in the objective function.

Measurements with Different Uncertainties

Notice that in the function in equation (A-2), the same penalty
occurs for changing any flowrate by 10 lb/hr (it adds 100 to the
objective function). In practice, some measurements are more accu-
rate than others. For example, flowrate S2 may have a standard
deviation of 5 lb/hr, while flowrate S1 has a standard deviation of 1
lb/hr because it was measured using a more-recently-calibrated
flowmeter. If large adjustments to some of the flowrates are
required to achieve optimum solution, it is preferable to adjust the
inaccurate measurements more than the accurate ones. In other
words, a larger penalty is paid for adjusting an accurate measure-
ment than an inaccurate one. It is more important that the reconciled
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DATACON 3.1 User’s Guide A-5
 values be closer to the accurate measurements than to the inaccurate
measurements. To achieve this, include weighting factors, w, in the
objective function:

2 2 2 2
Xˆ – x = w 1 ( Xˆ 1 – x 1 ) – w 2 ( Xˆ 2 – x 2 ) + w 3 ( Xˆ 3 – x 3 ) ...
2 2 2

Weighting factors simply allow for emphasizing the importance of

preserving certain measurements over others. A large value for wj,
means more credence is given to the jth measurement. If for example,
Xˆ 1 is more accurate than Xˆ 2 , you might select w1 = 5 and w2 = 0.1.
Changing Xˆ 1 by 2 lb/hr increases the objective function by 100 lb/hr,
while changing Xˆ 2 by 2 lb/hr increases the objective function by only
0.04 lb/hr. Since DATACON minimizes this objective function,
chances are that Xˆ 2 (the inaccurate measurement) will be changed
more than Xˆ 1 . The penalty for adjusting Xˆ 1 is so severe, that
DATACON will probably only make small adjustments to it.
DATACON selects the weights according to the supplied standard
deviations. Since small standard deviations correspond to accurate
measurements, the weights are the reciprocal of the standard
deviation:

2 1 2 1 2 1 2
Xˆ – x = -----2 ( Xˆ 1 – x 1 ) – -----2 ( Xˆ 2 – x 2 ) + -----2 ( Xˆ 3 – x 3 ) ... (A-3)
σ1 σ2 σ3

You will probably see this equation written in its generalized matrix
form:

= ( Xˆ – x ) Σ ( Xˆ – x )
2 T –1
Xˆ – x (A-4)

is a column vector and Σ is a square matrix called the covari-

( Xˆ – x )
ance matrix. In DATACON, Σ is always a diagonal matrix, whose
jth entry is , so Σ-1 is a diagonal matrix whose jth entry is 1/ σ 2j .

Interdependent Measurements
So far the assumption is that the measurement errors are indepen-
dent of each other. When measurements are in some way correlated,
the covariance matrix has off-diagonal entries and the objective
function becomes more complex.

Correlation of errors occurs most commonly in mass flowrate mea-

surements. These flowrates are typically determined by measuring a
pressure drop across an obstruction (e.g., an orifice) and the fluid
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A-6 Technical Reference
 temperature. Because the fluid density is dependent on its tempera-
ture, a correction must be applied to the flowrate when the fluid
temperature differs from the flowmeter’s calibration temperature.
Errors in temperature measurements affect the mass flowrate mea-
surements through the temperature correction. Although DATA-
CON does not consider error correlation through the covariance
matrix, it does allow you to enter flowrate compensation data into
the Stream Entry dialog box.

Gross Error Detection

A certain amount of random error is acceptable in measurements.
The presence of gross errors, however, is unacceptable. Gross errors
can be caused by defective measuring equipment or may simply be
the result of someone incorrectly recording an instrument reading
(for example, 1400 lb/hr instead of 4100 lb/hr.)

Figure A-4 shows a flowsheet that separates a binary mixture into

two relatively pure products.
Figure A-4: Sources of Feed Composition Data

14YbUSd

S_]`_cYdY_^ 2eRR\U@_Y^d

]UQcebU]U^d 6\QcX

6UUT
39^VUbVUUTH!H"
H!H"
RiS_]RY^Y^W`b_TeSd

14YbUSd ]UQcebU]U^dc

S_]`_cYdY_^ 29^VUbVUUTH!H"

]UQcebU]U^d Vb_]D@]UQcebU]U^d

To illustrate some statistical concepts, imagine you are trying to

determine the composition of the feed stream. Figure A-4 shows
several possible sources of feed composition data:

A) You can directly measure the feed composition in two loca-

tions, marked A and A* in Figure A-4.
B) You can infer the stream’s composition from its bubble point
temperature and pressure. This requires a thermodynamic
model, which can add significant uncertainty into the
calculations.
C) You can combine product stream measurements to recreate the
feed stream.

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DATACON 3.1 User’s Guide A-7
 Note: In the following sections, A, A*, B, and C are loosely
referred to as measurements for the feed composition, even
though A is the only quantity that is directly measured.
Many of the concepts of gross error detection are best illustrated
graphically. For the flowsheet above, three pairs of measurements
for the feed composition exist. Each appears as a point in the X1 - X2
plane. Figure A-5 shows measurement pair A, the directly measured
composition. If X1 and X2 have known standard deviations σ(X1) and
σ(X2), error bars can be drawn around the point. You might select
2σ(X1) for the length of the X1 error bar and 2σ(X2) for the length of
the X2 error bar, as shown in Figure A-5 below.

Figure A-5: Graphical Representation of a Pair of Measurements

2σ(H"
H"
1

2σ(H!

H!

The horizontal strip around point A contains all values of X2 that fall
within one standard deviation of measurement A’s X2 value. Simi-
larly, the vertical strip contains all X1 values that fall within one
standard deviation of measurement A’s X1 value. This strip is wider
than the horizontal strip, indicating more uncertainty in the X1 mea-
surement. The intersection of these strips (the dark rectangle around
point A) contains all values of X1 and X2 that lie within one standard
deviation of both X1 and X2. The rectangle represents the confidence
region; for our purposes, all points within the rectangle are accept-
able alternatives to the measured value. A point outside of the rect-
angle is unacceptable.

Measurement B is included in Figure A-6. Notice that point B has a

much larger uncertainty region than point A. This might be because
of the uncertainty inherent in the thermodynamic models needed to
obtain point B.

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A-8 Technical Reference
 Figure A-6: Two Sets of Measurements
!

1
H!H"-!

BUS_^SY\UT

C_\edY_^

H"

H! !

The diagonal line represents all compositions that satisfy the mole
fraction constraint: X1 + X2 = 1; therefore, any reconciled measure-
ment must be a point on this line. As you can see, point A already
satisfies the mole fraction constraint. If point B was absent, the rec-
onciled solution would simply be the measured value, A.

If point B was the only measured value, then an acceptable recon-

ciled value must lie on the diagonal line and be inside rectangle B.
DATACON’s constrained minimization procedure will find the
exact point.

Given measurements A and B and their standard deviations, DATA-

CON can be used to calculate the reconciled solution, shown in the
figure. As you would expect, it lies on the diagonal line, much
closer to measurement A than B. Remember, DATACON weighs the
accurate measurements very heavily in its minimization procedure.
Measurement A is consistent with the reconciled solution since they
both lie within the rectangle of confidence for point A. The recon-
ciled solution does not, however, lie within point B’s rectangle of
confidence so measurement B is inconsistent with this reconciled
value.

DATACON will notify you that B possibly contains gross errors

since the reconciled solution is simply too far from measurement B.
Without any other information, confidence is placed in the measure-
ment with the smallest error bars and the other one is thrown away.

Instead of ignoring the large discrepancies in the measurements, try

to gather more information to assess the source of the gross error.
Checking the instrument that took measurement B is a logical place
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DATACON 3.1 User’s Guide A-9
 to start. Suppose after testing this instrument, you find that it is in
good working order, however the engineer who took measurement
A confesses that he was a little careless:

1. As suspected, X1 was measured and X2 was calculated from

1- X 1.

2. The measurement was taken during startup of the process and it

is possible that the process was not quite at steady state when
the measurement was performed. Measurements B and C were
both taken at steady state.
The first item is of concern because point A is based on a single
measurement, rather than independent measurements for both X1
and X2. It contains less information than the other measurements.
The second item is particularly important since the composition
during startup can be quite different than the steady-state composi-
tion. It is now suspected that measurement A is much less accurate
than originally believed.
After carefully remeasuring the feed composition—this time after
the valve in Figure A-4—the engineer returns with the data shown
in point A* of Figure A-7. This figure also now includes measure-
ment C, which was omitted from the previous reconciliation.
Figure A-7: Four Composition Measurements
!

1 H!H"-!

B"*BUS_^SY\UT

gYdX123_^\i

1

B!*BUS_^SY\UT
H"
gYdX1123

2
3

H! !

If you run DATACON using measurements A, A*, B, and C, it will

return point R1 as the reconciled value. This point lies outside the
confidence interval of every measurement, so DATACON will
notify you that all measurements may be grossly in error. It also
ranks the measurements in terms of which is the most likely to be in
error.
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A-10 Technical Reference
 In this example, the measurements for point A will be signaled as
the most likely source for a gross error. This may seem surprising
since A is closer to R1 than is A*, B, or C. Although A is the closest
in terms of distance, it is the farthest in terms of standard deviation.
In the X1 direction, for example, measurement A is approximately
three of its standard deviations away from R1, while the other mea-
surements are all less than two of their standard deviations away. By
scaling the distance with each measurement’s standard deviation,
deviations from high precision measurements are more heavily
penalized.

If you instructed DATACON to ignore measurement A, point R2 is

returned as the new reconciled answer. Since this point does lie
within rectangles A*, B, and C, it is an acceptable solution and there
will be no gross error warnings.

Gross Errors Statistical Tests

DATACON uses three statistical tests to identify gross error mea-
surements. The Global Test assesses if a gross error is present and
performs any of the included measurement tests. The Measurement
Test and the Principal Component Measurement Test (PCMT) try to
identify the most likely source(s) of the error. As is typical in statis-
tics, passing these tests does not guarantee the quality of the recon-
ciled solutions, but failing either test does guarantee that a problem
exists. Here the problem is the presence of statistically gross errors.
Note that the global test is always used, but only one of the mea-
surements tests can be selected at a time.

The Global Chi-square Test

To illustrate the Global Test for plant measurements revisit problem
2, reproduced in Figure A-8.
Figure A-8: Detecting Gross Errors

C& !)("

4 C$
C' C(
# &%

C! C" C# C%
! !!
1 $!!"
2 ')!
3 ! (#"

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DATACON 3.1 User’s Guide A-11
 To test for gross errors, DATACON recognizes that if the measure-
ments contained only normally distributed random errors, then the
residuals would be normally distributed with zero mean.
A residual is simply how much the measured data violate the con-
servation laws. This flowsheet has two degrees of redundancy and
therefore has two independent residuals that can be tested:

■ A mass balance around node C produces a residual of:

R(1) = 79+30.6-108.3 = 1.3.

■ A mass balance around the entire flowsheet yields:

R(2) = 100.1+30.6-19.8-108.3 = 2.6

Since each residual should be zero, the quality of the measurements

can be quantified by summing up the squares of the residuals:
ν

∑ Ri
2
τ(ν) = (A-5)

i
The integer ν is the number of residuals, two in this example. In
practice, DATACON scales the residuals with the standard devia-
tions of the measurements. Although the τ(ν) used by DATACON is
more complex than the one in equation (A-5), equation (A-5) is
adequate here because it illustrates the concepts well. Think of the
residuals as being normally distributed about zero with a standard
deviation of 1.

The Global Test is dependent upon the fact that if the residuals are
normally distributed, then τ follows a Chi-square distribution. Here
is how DATACON uses this result to test for the existence of gross
errors:

1. From the provided measurements, DATACON calculates the

mass balance residuals.
2. τ is then determined using equation (A-5).
If τ is outside of the 95% confidence interval for the Chi-square dis-
tribution, then the residuals do not behave as if they contain only
random errors. Thus there is a high probability there is a gross mea-
surement error.

Values of the 95% confidence interval for the Chi-square distribu-

tion are tabulated for various values of ν. The following section
gives a short description of the Chi-square distribution and some of
its properties.
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A-12 Technical Reference
 The Chi-square Distribution
If R1, R2, ... Rn are random variables described by a Gaussian distri-
bution with mean zero and standard deviation of 1, then the Chi-
square random variable is defined by:
ν

∑ Ri
2 2
χ ( ν) =
i

Like any other random variable, it is described by a probability den-

sity function; in this case, there is a different function for each ν.
The integer ν is usually called the number of degrees of freedom.
You could generate the Chi-square density functions as follows:

1. Measure the ν random variables R1, R2, ... Rn. A simple way to
obtain these is from a computer’s (Gaussian) random number
generator.
2. Record the value of χ2 as defined above for this experiment.
3. Repeat this procedure millions of times, to obtain millions of
values for χ2.
4. Create the probability density function by subdividing the x-
axis and counting how many values of χ2 occurred in each sub-
division. If, for example, in many experiments 13 values of χ2
lie between 9.1 and 9.2, these data could be represented as 13
values occurring at 9.15. Naturally, the graph should be nor-
malized so that the total area under it is one. As the number of
values of χ2 approaches infinity, the subintervals could become
smaller to obtain the continuous curve shown in Figure A-9. A
different curve arises for each value of ν; a few of these are
shown in the figure.

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DATACON 3.1 User’s Guide A-13
 Figure A-9: Chi-square Probability Density Function
0.5

0.45

0.4 ν=2
0.35

0.3

F(X^2)
0.25

ν=4
0.2

0.15

0.1

0.05
ν=8
0
0 4 8 12 16 20

Chi-Squared (X^2)

Some properties of the Chi-square distribution include:

■ The mean value of χ2(ν) is ν. If you have four degrees of free-

dom, the expected value of ν is 4 (not zero).

■ As ν approaches infinity, the Chi-square density approaches

Gaussian. The χ2(8) curve in Figure A-9 is starting to show
this.

■ It has the following analytical form:

2 (ν – 2 ) ⁄ 2 2
2 (χ ) exp ( – χ ⁄ 2 )
F ( χ ) = ------------------------------------------------------------
ν⁄3
( 2 ) [ ( ν ⁄ 2 ) – 1 ]!

Now that you understand the origin of the Chi-square PDF, it is easy
to see how it can be used to detect gross errors. Since it is just a
probability density function, integrals of the Chi-square PDF dic-
tates the probability that the collection of measurements came from
normally distributed data. Very large values of χ2 are unlikely. If
χ2, as calculated from the measurements, is very large, the hypothe-
sis that the measurement errors are normally distributed is violated
and the measurements probably contain gross errors. A low value of
χ2 does not guarantee the measurement errors are normally distrib-
uted, but a large value is strong evidence that they are not normally
distributed. Statistical tests can typically detect violations of a
hypothesis, but can’t prove the hypothesis.

It is up to you to decide when a measured value of χ2 is too large.

DATACON allows you to select the 95% or 99% confidence inter-
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A-14 Technical Reference
 table; for example, with four degrees of freedom, 95% of the mea-
sured χ2 should lie between 0 and 9.49, and 99% should lie between
0 and 13.28. If the calculated value of χ2 is outside of the 95% confi-
dence interval, then there is very little chance (%) that the residuals
are normally distributed and the measurements most likely contain
gross errors.

Assume, for example, that four degrees of redundancy exist and the
associated mass balance residuals each have a standard deviation of
1. If the four mass balance residuals are: 0.4, 1.0, 1.2, and 1.8, then
τ = 0.42 + 1.02 + 1.22 +1.82 = 4.48 (not too far from the expected value
of 4). For four degrees of freedom, this value is well within the 95%
confidence interval, as shown in Figure A-10. On the other hand, if
the four mass balance residuals are: 0.4, 1.0, 1.2 , and 3.0, then
τ = 0.4 + 1.0 + 1.2 + 3.0 = 5.6. This value is outside the 95% confi-
dence interval and DATACON will signal that a gross measurement
error probably exists.
Figure A-10: Chi-square Test for n=4
0.2

0.18

0.16 P(χ2 < 9.49) = 0.95

0.14 ν=4 so P(χ2 > 9.49) = 0.05

0.12
F(X^2)

0.1

0.08

0.06
)%_V
0.04
d_dQ\QbUQ
0.02

0
0

12

16

20

Chi-Squared (X^2)

So far, large values of τ have been equated with the presence of

gross measurement errors. Notice, however, that as ν becomes
large, the Chi-square distribution approaches Gaussian and small
values of τ also become very unlikely. In Figure A-9, you can see
that the probability of obtaining τ < 2 is very small. This makes
sense because if each of the eight residuals have a standard devia-
tion of 1 then the probability of their values being this small is
inconsistent with their declared standard deviations (σ = 1). If you
observe a value of τ that is suspiciously small, the data may have
already been adjusted to conserve mass. In this sense, you can use
the Chi-squared test to detect data that have been tampered with.
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DATACON 3.1 User’s Guide A-15
 The Measurement Test
DATACON uses the Measurement Test to decide which measure-
ments are most likely in error. This concept is illustrated qualita-
tively in Figure A-7. For each measurement, DATACON computes
the Z-statistic, defined by:

yi – xi
Z i = -----------------------
2 2
σyi – σxi

Here yi is the measured value and xi is the reconciled value, so the

numerator represents the distance from the measured point to the
reconciled point. The difference is also known as the measurement
adjustment. The denominator scales the distance with the standard
deviation. It is actually the standard deviation of the measurement
adjustment, therefore Z-statistic is a standardized measurement
adjustment. If many degrees of redundancy exist, the standard devi-
ation of the reconciled result will be much smaller than the standard
deviation of the measurement. In this case σxi << σyi and the Z-sta-
tistic becomes:

yi – xi
Z i = -------------
-
2
σyi

The value of the Z statistic is the distance, in units of standard devi-

ation, between the measured and reconciled values. If Z3 = 2, then
measurement 3 is two standard deviations away from the reconciled
value. This is the logic used to determine that measurement A in
Figure A-7 was the most likely source of gross error. Small values
of Z indicate that the measured and reconciled values are very close.

Principal Component Measurement Test

DATACON uses the Principal Component Measurement Test to
identify the location of gross errors. The basic concepts for this sta-
tistical test is explained below.

The covariance matrix of measurements Σ defined in equation A-4

can be diagonal, block diagonal, or 100% dense symmetric,
depending on the level of correlation among individual measure-
ments. DATACON assumes no correlation among measurements,
therefore Σ is a diagonal matrix.

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A-16 Technical Reference
 Another matrix involved in gross error statistical tests is the matrix
of measurement adjustments, say matrix Q. Matrix Q is always
dense. That means that, even if measurements are independent or
weakly correlated, the reconciled data are always strongly corre-
lated. The reconciled data are correlated because they are related to
each other via the process model. Since the reconciled variables are
correlated, the corresponding measurement adjustments are also
correlated.

However, the measurement test described before uses only the diag-
onal terms of matrix Q. Alternatively, the principal component tests
use the entire matrix Q. It was found that tests using entire Q often
perform better than the univariate tests using partial information
(diagonal terms on matrix Q).
Figure A-11: Confidence Regions for Three Tests for Pair of Measurements
Global Chi-
GMT Squared Test

a2
•

PCMT
N
IO
confidence limit 2
E G
R a1
CE
D EN
N FI
CO

confidence limit 1

For example, Figure A-11 contains an ellipse that represents an area

where data adjustments for a pair of measurements would most
likely to occur if there is no gross error at all (random errors only).
The ellipse corresponds to the confidence region for the global chi-
square test for a chosen level of significance, say (α = 95%). If the
measurement adjustments lie outside the ellipse, there is a 95%
probability that there are gross errors. The black dot outside the
ellipse, clearly indicates a high likelihood that data are in gross
error. A principal component (PC) test, represented by the solid
rectangle is closely aligned with the ellipse, correctly detects the
gross error, because the black dot lies outside the solid triangle.

On the other hand, the conventional measurement test, represented

by the dotted rectangle here, fails to detect the error, because the
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DATACON 3.1 User’s Guide A-17
 following: the PC test is based on a multivariate statistical method,
known as Principal Component Analysis.

For multiple gross errors, it was found that the conventional statisti-
cal methods cannot detect all the gross errors. Recent progress in
gross error detection recognizes the fact that multivariate data
require multivariate statistical methods. In many such situations,
principal component tests are more successful in detecting the cor-
rect gross errors. This is very important because failure to detect all
gross errors could result in an unsuccessful data reconciliation (the
reconciled solution is infeasible or questionable).

The following is a brief description of the principal component

tests. Define a as the vector of measurement adjustments, that is,
a=y-x
where y is the vector of measured variables and x is the vector of the
corresponding reconciled values. If y follows a multivariate normal
distribution, i.e., y ~ N(0, Σ), it can be shown that y follows a multi-
variate normal distribution, a ~ N(0, Q).

A principal component measurement statistic, say pa,i, satisfies:

pa,i = (WaTa)i ~ N(0, 1), i = 1, ..., m

where Wa consists of eigenvectors of Q and m is the number of

retained principal components; in general, m n, where n is the num-
ber of measurements. In DATACON implementation, m is equal to
the number of degrees of redundancy, DR, defined as the number of
model equations minus the number of independent unmeasured
variables minus the number of actively bounded unmeasured
variables.
Furthermore, it can be shown that pa ~ N(0, I), so that the principal
components are not correlated. If there are only random errors, it is
expected that not only are pa equal to zero but also the variance-
covariance matrix is identity. As discussed earlier, such a statistic
can be tested against a threshold of a standard normal variate.
Henceforth, pa,i is denoted as PCMT (Principal Component Mea-
surement Test).
Note that there is something in common in the measurement test
and the PC test - both compare a statistic against a standard normal
variate (zero expectation and unit variance). They differ in the way
in which each statistic is constructed. Since PCs are not correlated,
the PC test is generally sharper and less confounding. However, a
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A-18 Technical Reference
 PC test requires more computations. Besides, it uses contribution
analysis to map a PC in gross error into one or more measurements.
The measurements in gross error are identified by inspecting the
contribution from the jth adjustment in a, say, aj, to a suspect PC (a
principal component whose value exceeds the calculated threshold
for a chosen level of significance). The threshold for a PC test is
calculated by the same formula as for measurement test, i.e., Z1-β/2.
Note that σ in the formula for the modified level of significance β is
equal to the number of degrees of redundancy for the PC test.

The jth adjustment contribution can be calculated by

gj = (wa,i)j aj j = 1, ..., n

where wa,i is the ith eigenvector and n is the total number of mea-
surements. The contributions should be studied by checking the
signs and magnitudes of the elements in g. In general, the contribu-
tions will vary, and are dominated by a few elements. The major
contributors will be declared as gross error suspects.

References
Frantisek Madron, Process Plant Performance, Ellis Horwood
Limited, 1992.
A. C. Tamhane and R. S. H. Mah, Data Reconciliation and Gross
Error Detection in Chemical Process Networks, Technometrics., 27
(4): 409, 1985.
C. L. E. Swartz, Data Reconciliation for Generalized Flowsheet
Applications, 1989 ACS national meeting, 1989.
H. Tong and C.M. Crowe, Detection of Gross Errors in Data Rec-
onciliation by Principal Component Analysis, AIChE J. 41, 1712,
1995.

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DATACON 3.1 User’s Guide A-19
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 Glossary

Automatic Error If gross errors are found, this technique sequen-

Elimination tially eliminates measurements with the highest
errors. Errors continue to be eliminated until no
further gross errors are detected.

Bad Tag Data A list of faulty measurement values which should

not be used in the data reconciliation.

Calculated A process measurement that is calculated from rec-

Variable onciled measurements.

Data A technique to adjust the measured data and give

Reconciliation estimates to unmeasured variables where possible,
in such a way that this set of measured, as well as
estimated, data satisfies heat and material balance
equations.

Error Masking A factor that represents the detectability of a gross

Factor error. The smaller the error masking factor, the
more likely is the error to be detected.

Global Test A technique that tests a cumulative constraint

residual measure (calculated based on all the mea-
surements) against a chi-square (c2) distribution at
a given significance level.

Gross Error A measurement is said to have gross error if the

error exceeds the expected normal measurement
error.
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DATACON 3.1 User’s Guide G-1
 Instrumentation A collection of instruments for the purpose of
observation, measurement, control, or any combi-
nation thereof.

Measured A process variable that is measured by an instru-

Variable ment.

Measurement A device used directly or indirectly to measure a

Instrument variable.

Measurement Measured or estimated plant data whose normal-

Test ized test statistic, zi, exceeds a critical value, zc,
are said to have a gross error.

Non-Redundant A measured variable which becomes unobservable

Variable if its measuring instrument is deleted and its value
cannot be subsequently calculated from other vari-
ables.

Observable An unmeasured variable, whose value can be esti-

Variable mated based on other measured values.

Optimization A procedure whereby the optimum value of a vari-

able, design, program, etc. is found or achieved.
The optimum value is determined from a minimi-
zation (or maximization) of acriterion function
such as cost (or profit).

PFD A Process Flow Diagram (PFD) represents the pro-

cess units and the flow through the various units.

Random Error The difference between the measured value and the
true value.

Reconciled A measured or unmeasured variable that is

Variable adjusted to satisfy heat and material balance equa-
tions.

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G-2 Glossary
 Redundant A measured variable which remains observable if
Variable the measurement is deleted, indicating that its
value can be subsequently calculated from other
variables.

Standard An indicator of the inherent random error of the

Deviation measurement.

Tag Data Raw plant data, with a unique tag name for each
data value.

Unmeasured A process variable that is not measured by an

Variable instrument.

Unobservable An unmeasured variable that cannot be uniquely

Variable calculated from other variables.

Z-Statistic The normalized test statistic, zi, used in the mea-

surement test.

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DATACON 3.1 User’s Guide G-3
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 Index

Symbols load list 10-5

results 10-9
revising execution sequence order 10-7
@aGlance/IT 9-2
terminating execution list 10-8
Binary interaction parameters 7-19
A Block diagram
creating 6-7
ADJ File 11-3 overview 8-3
AIMAT 9-2 Bounding box
Amine residence time correction factor 7-19 panning 6-9
Analyzing the results 2-8, 3-13 Building the flowsheet
Arrays, calculator 8-6 adding streams 2-4, 3-6
adding units 2-4, 3-5
Assay characterization
defining 7-10 Buttons
methods 7-12 See Toolbar buttons
Assay data 2-4
overview 7-9 C
TBP cutpoint sets 7-10
Assignment statements 8-6 Calculation
options 2-7, 3-11, 4-7
type 3-11
B unit-specific xvi
Calculation history
Balances
messages 10-4
types xv
viewing 10-4
Basics 2-1
Calculator
Batch mode
assignment statements 8-6
running files in 10-4
constants 8-5
Batch run control statements 8-9
creating an execution file list 10-7 DO loops 8-9
creating execution sequence order 10-4 elements 8-6
executing the list 10-8 intrinsic functions 8-7
execution file list 10-7 overview 8-3
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DATACON 3.1 User’s Guide I-1
 print control statements 8-9 selecting library 7-2
procedure 8-5 user-defined 2-3, 7-3
setup 8-4 Composition 7-24
solution flag 8-6 deviations 7-27
storage 8-5 global default basis 4-7
stream sequence 8-5 mixed streams 7-31
subroutines 8-8 streams 3-9, 7-26
supplied arrays 8-6 Conductivity data 7-7
termination statements 8-9
Copying
Check data reconciliation file 1-8
button 10-1 stream data 7-31
colors 10-2
Correction factor
Checking data 3-13 amine residence time 7-19
Chi-square distribution A-13 Poynting 7-18
Circle 5-10 Critical properties 7-6
Clipboard
export flowsheet to 1-11
Closing a reconciliation file 1-8
D
Colors
Data
coding cues 1-3, 2-7
default 2-7
global default 4-10
miscellaneous 2-7
optional 1-3
optional 2-8
questionable data 1-3
required data 1-3 Data entry window
supplied data 1-3 buttons 1-4
understanding 3-7 help levels 1-6
unit operations 8-1
Column 8-10
Data reconciliation
Component data
graphical representation A-4
databanks 7-1
interdependent measurements A-6
overview 7-1
measurements with different uncertainties A-5
Component databanks, accessing 3-3 overview A-3
Component family 7-2 Databanks
Component properties component 7-1
deleting 7-5 priority order 7-3
modifying 2-3, 7-5 DATACON
renaming 7-5 overview xiv
three methods for modifying 7-6 starting 1-1
Component property modification DATAPREP 7-1, 7-8
fixed properties 7-6
Default
specifying fill from structure 7-8
editor 12-6
temperature-dependent properties 7-7
font 12-7
Component reaction order 8-18
Default data 2-7
Components
Defaults
petroleum 2-2, 7-4
levels of 4-1
select from lists 7-2
See Also Global defaults
selecting 2-2, 3-3
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I-2 Index
 See Also Reconcilation defaults Ellipse 5-9
unit and stream naming 3-7 Enthalpy data 7-7
Defining Equations of state
generalized specifications 2-6 alpha data 7-18
input units of measure 2-2 methods 7-15
operating conditions 2-5 Equilibrium data 8-17
Delete button 1-5 ERR file 11-4
Delete confirmation 4-9 Error analysis report 3-12, 11-3
Deleting Error detection method 3-11
reconciliation file 1-8
Error elimination method 3-11
unit 5-2
Error messages 9-6
Density data 7-7
Error propagation report 3-12, 11-3
Diffusivity 7-21
Errors,random A-1
Display stream property lists 12-6
Estimated process variables
Distillation
supplying tags for 2-6
basis 7-28
data 7-29 Execution file list
types 7-28 creating 10-7
executing 10-8
Documentation xvii
terminating execution of 10-8
Drawing
Execution sequence order
adding text 5-7
creating 10-4
connecting streams 5-4
load list 10-5
feed streams 5-3
revising 10-7
freehand objects 5-7
lines 5-8 Exporting
pages 5-10 flowsheet 1-11
product streams 5-4 reconciliation data 1-10
shapes 5-8 simulation data to keyword file 1-10
streams 5-3 tag data to RAW file 1-10
streams, cancel 5-4 tag data to server 1-10

Drawing defaults External tags

delete confirmation 4-9 creating 9-7
fill icons 4-9 exporting 9-9
move tolerance 4-10 manipulating 9-7
page object size 4-10 modifying 9-9
panning sensitivity 4-9 refreshing 9-8
setting 4-8
snap tolerance 4-10 F
unit icon palette 4-9
unit snapping 4-9
Files
zoom increments 4-9
closing 1-8
copying 1-8
E deleting 1-8
exporting to input or tag data 1-10
Editor, default 12-6 importing keyword input 1-9
importing tag data 1-9
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DATACON 3.1 User’s Guide I-3
 list of DATACON 1-11 Font, default 12-7
managing 1-6 FORTRAN
opening an existing file 1-7 DO loops 8-9
opening new 1-7 flow control statements 8-9
save as a different name 1-8 Fugacities 7-18
saving 1-7
Fill from structure 7-8
Fill-in property prediction 7-17 G
Fixed properties 7-6
Gaussian distribution A-2
Flash 8-10
General approach 2-1
Flipping objects 6-5
General drawing defaults
Floating palettes 1-3
See Also Drawing defaults
Flowrate
Generalized specifications 2-6, 8-11
assigning a tag to variable 3-9
basis 7-26 Global Chi-square test A-11

Flowsheet Global defaults

adding streams 2-4 color cues 4-10
adding text to the 5-7 composition basis 4-7
adding units 2-4 drawing 4-8
aligning text 5-8 gross error options 4-8
changing stream style 12-3 overriding 4-2, 4-4, 4-7
changing unit style 12-1 problem description 4-1
connecting streams not visible on 5-4 stream rate basis 4-7
creating block diagrams 6-7 thermodynamic system 4-6
customizing 12-1 units of measure 4-3
display stream properties 12-6 Go to
displaying stream properties 3-13 buttons 1-5
drawing lines 5-8 stream 5-6
drawing pages 5-10 unit 5-6
drawing shapes 5-8 Gravity data 7-29
editing text 5-7 Grid, place on page 5-11
exporting 1-11, 3-14 Grids 8-2
font 12-7
Gross error detection A-7
placing units on 5-1, 5-2
printing 11-8 Gross error options 3-11
redraw 6-5 global default 4-8
running 10-3 Gross errors statistical tests
scrolling 6-6 chi-square distribution A-13
selecting all objects on 6-2 global chi-square A-11
setting color cues 4-10 measurement A-16
status 10-2 overview A-11
zooming 6-6 Principal component measurement A-16
Flowsheet layout
multi-line type 1 5-12
H
multi-line type 2 5-12
overview 5-11
Heat capacity data 7-7
single line 5-12
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I-4 Index
 Heat exchanger, simple 8-13 K
Heat of mixing data 7-20
Heat of reaction 8-17 Keyword input files
Heater 8-14 executing a list of selected 10-8
Heats of formation 7-6 exporting to 1-10
importing 1-9
Help button 1-6
output of batch run 10-9
Help, online xvii
Kinetic data 8-18
Henry’s law 7-18
K-value parameters 7-17
Hide/unhide
Pan View window 6-9
PFD palette 5-1 L
Run palette 10-1
Label
changing stream style 12-5
I
changing unit style 12-3
Latent heat data 7-7
Icon
fill 4-9 Layout of flowsheet 5-11
move tolerance 4-10 LIBMGR 7-1
palette size 4-9 Library components 3-3, 7-2
See Also Unit Lightends data 7-29
setting color cues 4-10
Lines
snap tolerance 4-10
drawing 5-8
IDEAL method 3-4 drawing orthogonal connected 5-8
Importing Linked text 8-2
keyword input file 1-9
Liquid activity 7-15
tag data file 1-9
LLE key components 7-19
Input units of measure
Local defaults
See Also Units of measure
See Reconciliation defaults
Instrument design case information 2-7
Interdependent measurements A-6
Interfaces M
@aGlance/IT 9-2
AIMAT 9-2 Main window 1-2
creating external tags 9-7 Material balance basis 3-11
exporting external tags 9-9 Measured process variables
initializing server communication 9-2 supplying tags for 2-6
interpreting error messages 9-6
Measurement
manipulating external tags 9-7
accuracy 3-8
modifying external tags 9-9
classifications xv
ODBC 9-2
errors A-1
PI 9-1
types xiv
refreshing external tags 9-8
troubleshooting 9-5 Measurement Z-test 3-11, A-16
Measurements
Intrinsic functions 8-7
different uncertainties A-5
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DATACON 3.1 User’s Guide I-5
 interdependent A-6 new reconcilation file 3-2
Messages 10-1, 10-4 new reconciliation file 1-7
Miscellaneous data 2-7 Operating conditions
Mixed streams 7-31 stream 2-5
supplying 2-5
Mixer 3-5, 8-15
unit operations 2-5
Molecular constants 7-6
Optional data 2-8
Molecular weight data 7-29
Output
Move tolerance 4-10 format 11-1
Moving objects 6-5 plots 11-6
Multi-line type 1 layout 5-12 reports 11-2
Multi-line type 2 layout 5-12 spreadsheet 11-6
Multiple viewports Output files 2-8, 3-13
button 1-4 ADJ file 11-3
displaying windows 6-7 batch run 10-9
ERR file 11-4
OUT file 11-2
N ZFL file 11-4
Overview xiv
Non-redundant measurements xv
Normal (Gaussian) distribution A-2
P
O Page
adding to flowsheet 5-10
Objects drawing 5-10
canceling a selection 6-3 making a grid 5-11
deselecting 6-3 moving 5-11
drawing 5-7 resizing 5-11
flipping 6-5 setting object size 4-10
moving 6-5 setup 5-10
rearranging 6-5 Palette
resizing 6-3 hide/unhide 5-1
restoring default size 6-4 selecting a unit from 5-1
rotating 6-5 setting icon size 4-9
See Also Units types 1-3
selecting a group of 6-2 Panning
selecting all 6-2 hide/unhide Pan View window 6-9
selecting multiple 6-1 sensitivity 4-9
Observable variables xv using the menu options 6-10
Online using the Pan View window 6-9
documentation xvii Parameter linked text 8-2
help xvii Petroleum assay streams 7-28
Open Database Connectivity (ODBC) 9-2 thermal conditions 7-30
Opening Petroleum components 2-2, 7-4
existing reconciliation file 1-7
PFD palette
multiple viewport windows 6-7 button 1-4
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I-6 Index
 See Also Palette defining reaction sets 8-16
PI 9-1 equilibrium data 8-17
Plot driver 11-6 heat of reaction 8-17
kinetic data 8-18
Plot viewer 11-7
Reaction sets 8-16
Plots
copying 11-8 Reactor 8-19
exporting 11-8 Reconcilation defaults
options 11-6 problem description 4-2
plot viewer 11-7 thermodynamic method 4-7
printing 11-8 units of measure 4-4
saving 11-8 Reconciliation files
setting up driver 11-6 output of batch run 10-9
Polygon 5-8 Rectangle 5-9
Ports Redraw flowsheet 6-5
color cues 3-6 Redundant measurements xv
Poynting correction factor 7-18 Reference streams 7-30
Predefined thermodynamic method sets REGRESS 7-1
equations of state 7-23 Relabeling
generalized correlations 7-23 streams 5-5
liquid activity 7-24 unit 5-2
most commonly used 7-23
Report options
special packages 7-24
units of measure 11-1
Primary cutpoint set 7-11
Reports
Principal component measurement test A-16 generating 11-4
Print options 2-7, 3-12, 11-4 output file 11-2
Printer setup 11-8 print options 11-4
Printing printing 11-5
flowsheet 11-8 selecting types 3-12
plot 11-8 viewing 11-5
report 11-5 Resizing objects 6-3
Problem description 3-1 Restoring object to default size 6-4
global default 4-1 Rotating objects 6-5
reconcilation default 4-2 Run batch
Programmer’s file editor 3-13, 12-6 See Batch run
Run menu
R check data 10-1
messages 10-1
run 10-1
Random errors A-1
status 10-1
Rate compensation 7-27 stop 10-1
Raw tag data Run palette
See Tag buttons 10-1
Reaction data 2-4 hide/unhide 10-1
component order 8-18 Running files in batch mode 10-4
define 8-15
Running the reconciliation 2-8, 3-13, 10-3
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DATACON 3.1 User’s Guide I-7
 S Stoichiometric reactor 8-19
Stopping the execution 10-3
Saving Stream accuracy factor 7-31
current reconciliation 1-7, 3-7 Stream data
file to another name 1-8 accuracy factor 7-31
Scrolling the flowsheet 6-6 composition deviations 7-27
Selecting composition-defined 7-26
components 2-2 copying 7-31
objects 6-1 distillation types 7-28
thermodynamic methods 2-3 entering 7-25
flowrate basis 7-26
Server communication
gravity types 7-29
connecting 9-2
lightends composition 7-29
creating external tags 9-7
mixed 7-31
disconnecting 9-4
molecular weight curves 7-29
exporting external tags 9-9
overview 7-24
initializing 9-2
petroleum assay 7-28
manipulating external tags 9-7
rate compensation 7-27
modifying external tags 9-9
reference 7-30
refreshing external tags 9-8
thermal conditions 7-27, 7-30
troubleshooting 9-5
types 7-25
Server source type 9-3
water decant 7-28
Shapes
Stream property storage subroutines 8-8
circle 5-10
Stream rate basis
drawing 5-8
global default 4-7
ellipse 5-9
polygon 5-8 Stream style
rectangle 5-9 changing globally 12-3
square 5-10 displaying properties on label 12-5
SIMSCI databanks Streams
AIChE DIPPR 7-1 adding 3-6
PROCESS 7-1 assigning tag data 3-9
SIMSCI 7-1 cancel drawing mode 5-4
changing a connection 5-4
Single line layout 5-12
compositional 3-7, 7-24
Snap tolerance 4-10
connecting 5-4
Solution flag 8-6 data entry 3-8
Splitter 3-5, 8-19 default names 3-7
Spreadsheet tools 11-6 displaying properties on the PFD 3-13
Square 5-10 drawing 5-3
feed 5-3
Standard deviation 2-7, 3-10, 3-11, A-2
moving 5-5
Standard vapor conditions 4-4
product 5-4
Starting DATACON 1-1 relabeling 5-5
Status re-routing 5-5
button 10-1 searching for 5-6
checking 10-2 Subroutines
unit operations 8-1 stream property storage 8-8
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I-8 Index
 Surface tension 7-21 Tolerance 2-7
move 4-10
snap 4-10
T Toolbar buttons
data entry 1-4
Tag delete 1-5
assigning to streams 3-9 go to 1-5
estimated process variables 2-6 groups 1-3
external 9-7 help 1-6
measured process variables 2-6 multiple view 1-4
selection 3-9 PFD palette 1-4
Tag data file view 1-5
exporting to 1-10 Transport properties
importing 1-9, 3-7 defining 7-21
Tank 8-20 user-added 7-22
TBP cutpoint sets 7-10 Troubleshooting 9-5
Technical support centers xviii Tutorial
Temperature-dependent properties 7-7 adding process streams to the PDF 3-6
Text adding process units to the PFD 3-5
adding 5-7 building the flowsheet 3-5
aligning 5-8 default gross error options 3-11
editing 5-7 defining the thermodynamic method 3-4
linked 8-2 displaying stream properties on the PFD 3-13
Thermal conditions 7-27 entering stream data 3-8
exporting the flowsheet 3-14
Thermal conductivity 7-21
generating an output file 3-13
Thermodynamic data importing the raw tag data 3-7
amine residence time correction factor 7-19 reviewing the results 3-13
binary interaction parameters 7-19 running the reconcilation 3-13
categories 7-15 saving the simulation 3-7
equation of state alpha data 7-18 selecting the components 3-3
fill-in property prediction 7-17 selecting the material balance method 3-11
heat of mixing data 7-20 selecting the unit balance method 3-11
Henry’s law 7-18 setting the print options 3-12
LLE key components 7-19 specifying the calculation options 3-11
modifying predefined method sets 7-16 specifying the standard deviations 3-11
overview 7-13
TVP and RVP conditions 4-4
Poynting correction factor 7-18
predefined method sets 7-14, 7-23
transport properties 7-21 U
user-added 7-20
water decant options 7-22 Uncertainties
Thermodynamic method measurements with different A-5
assay data 2-4 Undo feature 6-3
global default 4-6
UNIFAC structures 7-9
reaction data 2-4
reconcilation default 4-7 Unit
selecting 2-3, 3-4 adding 3-5
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DATACON 3.1 User’s Guide I-9
 collapsed into a block diagram 6-8 report options 11-1
default names 3-7 Units of measure library 4-5
deleting 5-2 Unmeasured stream variables
fill icons 4-9 types xv
Hide/unhide palette 5-1
Unobservable variables xv
icon palette 4-9
move tolerance 4-10 Unsatisfied data 3-7
placing on flowsheet 5-1, 5-2 User-added
relabeling 5-2 components 2-3, 7-3
resizing 6-3 thermodynamic data 7-20
restoring default size 6-4 transport properties 7-22
searching for 5-6 Using Run/Results Buttons 1-5
selecting from palette 5-1
snap tolerance 4-10
snapping 4-9 V
Unit balance method 3-11
Vapor pressure data 7-7
Unit balance summary report 11-3
Variables
Unit operations
estimated 2-6
balances for xv
measured 2-6
block diagram 8-3
calculator 8-3 View buttons 1-5
column 8-10 Viscosity
data entry windows 8-1 data 7-7
flash 8-10 methods 7-21
grids 8-2
heat exchanger 8-13
heater 8-14
W
link text 8-2
mixer 8-15 Water decant options 7-22, 7-28
splitter 8-19 Welcome dialog box 1-1
status 8-1
stoichiometric reactor 8-19
supported xiv
X
tank 8-20
X-Y grid 8-2 X-Y Grid 8-2
Unit style
changing a single unit 12-2 Z
changing globally 12-1
label 12-3
ZFL file 11-4
Units of measure
Zoom increments 4-9
creating a new set 4-5
Zooming
defining input 2-2
in on a selected area 6-6
global defaults 4-3
in or out 6-6
reconcilation default 4-4
show the entire flowsheet 6-6

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I-10 Index