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Solved - The Following Is A Set of VLE Data For The System Aceto...

complex engineering problem (thermodynamics )

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2K views10 pages

Solved - The Following Is A Set of VLE Data For The System Aceto...

complex engineering problem (thermodynamics )

Uploaded by

Ehtisham Zia
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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The following is a set of VLE data for the system acetone(1)/methanol(2) at 55°C (extracted
from D. C. Freshwater and K. A. Pike, J. Chem. Eng. Data, vol 12 pp 179?183, 1967) Snap a photo from your
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My Textbook Solutions

Introduction Student Fluid


to Chemical... Solutions... Mecha
(a) Basing calculations on Eq. (12.1), find parameter values for the Margules equation that
7th Edition 13th Edition 2nd Ed
provide the best fit of GE/RT to the data, and prepare a P – x – y diagram that compares the
View all solutions
experimental points with curves determined from the correlation.

(b) Repeat (a) for the van Laar equation.

(c) Repeat (a) for the Wilson equation.

(d) Using Barker’s method, find parameter values for the Margules equation that provide the best
fit of the P – x1 data. Prepare a diagram showing the residuals δP and δy1 plotted vs. x1.

(e) Repeat (d) for the van Laar equation.

(f) Repeat (d) for the Wilson equation.

Step-by-step solution

Step 1 of 1

Acetone(1)/Methanol(2)-- VLE data:


Number of data points:n:= rows(P) n=20 i := 1..n

Calculate x2 and y2:

Vapor Pressures from equilibrium data:

Calculate EXPERIMENTAL values of activity coefficients and excess Gibbs energy.


(a) Fit GE/RT data to Margules eqn. by linear least squares:

Slope :=slope(VX,VY)

A12 := Intercept

Intercept := intercept VX, VY)

A21:= Slope+ A12

The following equations give CALCULATEDvalues:

γ 1(x1,x2) :=exp [ x22 [ A12 + 2• ( A21−A12 ) •x1 ] ]

γ2(x1,x2):=exp [ x12 [ A21 + 2• ( A12−A21 ) •x2 ] ]

j := 1.. 101

P-x,y Diagram: Margules eqn. fit to GE/RT data.


RMS deviation in P:

(b) Fit GE/RT data to van Laar eqn. by linear least squares:

VXi := x1i

Slope :=slope(VX, VY)

Intercept := intercept (VX, VY)

j := 1.. 101

(To avoid singularities)

P-x,y Diagram: van Laar eqn. fit to GE/RT data.

RMS deviation in P:
(c) Fit GE/RT data toWilson eqn.by non-linear least squares.

Minimize the sum of the squared errors using the Mathcad Minimize function.

Guesses:Λ12 := 0.5 Λ21 := 1.0

j := 1.. 101

P-x,y diagram: Wilson eqn. fit to GE/RT data.

RMS deviation in P:

(d) BARKER'S METHOD by non-linear least squares.

Margules equation.

Guesses for parameters: answers to Part (a).

γ1 ( x1,x2,A12,A21 ) := exp [ (x2)2• [ A12 +2• ( A21 − A12 ) •x1 ]]

γ2 ( x1,x2,A12,A21 ) := exp [ (x1)2• [ A21 + 2• ( A12 − A21 ) •x2 ]]

Minimize the sum of the squared errors using the Mathcad Minimize function.

Guesses:A12 := 0.5 A21 := 1.0


RMS deviation in P:

P-x-y diagram, Margules eqn. by Barker's method

Residuals in P and y1

(e)BARKER'S METHOD by non-linear least squares. van Laar equation.

Guesses for parameters: answers to Part (b).

j :=1 101
Minimize the sum of the squared errors using the Mathcad Minimize function.

Guesses:a12 := 0.5 a21 := 1.0

RMS deviation in P:

P-x,y diagram, van Laar Equation by Barker's Method

Residuals in P and y1.


(f) BARKER'S METHOD by non-linear least squares.

Wilson equation.

Guesses for parameters: answers to Part (c).

j := 1.. 101

Minimize the sum of the squared errors using the Mathcad Minimize function.

Guesses:Λ12 := 0.5 Λ21 := 1.0

RMS deviation in P:

P-x,y diagram, Wilson Equation by Barker's Method


Residuals in P and y1.

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