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Process Modeling Simulation

This document discusses process modeling and simulation. It explains that a process model is a simplified representation of a process system over time and space. Process models can be represented by algebraic equations, differential equations, or a combination. Steady state models use algebraic equations while unsteady state models use differential equations. Process simulation involves manipulating the model to generate results over time and space. Common uses of process modeling include research and development, plant design, and plant operation. The document provides examples of steady state and unsteady state material balance equations and models a continuous stirred tank reactor system.

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NOMAN ASHRAF
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253 views

Process Modeling Simulation

This document discusses process modeling and simulation. It explains that a process model is a simplified representation of a process system over time and space. Process models can be represented by algebraic equations, differential equations, or a combination. Steady state models use algebraic equations while unsteady state models use differential equations. Process simulation involves manipulating the model to generate results over time and space. Common uses of process modeling include research and development, plant design, and plant operation. The document provides examples of steady state and unsteady state material balance equations and models a continuous stirred tank reactor system.

Uploaded by

NOMAN ASHRAF
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PPTX, PDF, TXT or read online on Scribd
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Process Modeling& Simulation

By
Ajit Surabhi
Introduction
• Process System: A process system
operates over time and space.
• Process System can be a simple tank
containing water or a complete chemical
plant
• Process model: Process model is a
simplified representation of a system with
respect to time and space.
• Process model can be represented by:
An Algebraic equation.
A differential equation.
Combination of both.
• If the model is represented by an Algebraic
equation, it is called steady state model and
the system represent steady state system.
• If the model is represented by either
differential equation or combination of
Algebraic & differential equation, it is called
unsteady state model and the system
represent unsteady state system.
• Process simulation:
• Manipulation of the model to generate the results
over time and space& correct the model to suit
the process system requirement.
• The simulation is computerized version of a
model
Used of process Modeling
 Research& development
 Plant design
 Plant operation
• Principles of formulation: The basis for
mathematical models are the fundamental
physical and chemical laws such as the law of
conservation of mass, energy and momentum.
Fundamental Laws
• Total continuity (total mass balance) equation
• component mass balances
•  Total energy balance equation.
• Chemical kinetics.
• Thermodynamics: equation of state
• Transport equations.
Steady State and unsteady state modeling
In steady state model, at any place in the process,
nothing changes with time and is described by
Algebraic Equations (AEs).
Material balance:
• ∑flows in = ∑flows out
In unsteady state model, quantities may change with
time described by Ordinary Differential Equations
(ODEs) and AEs.
• Material balance:
• rate of change of mass = flows in - flows out
• In a molar or volumetric balance, mass is replaced by
moles or volume.
Example

Steady state material


balance
F1 - F2 = 0

Unsteady state material balance:


Introduces holdup M and ODE and more equations
are needed
dM/dt = F1 - F2
Two constraint equations are needed, e.g. for flows
F1 - a1 = 0 , F2 - a2 = 0
Solution
• M(t) = (a1 - a2)t + c (or) M(t) = bt + c
Initial Conditions
• ODEs need initial conditions one for each
differential variable valid at initial time (t0)
• The differential variable is M, Give initial
holdup M0 at time t0 = 0
• Substitute into ODE:
• Gives: c = M0 Hence the particular solution:
M(t) = M0 + bt .
Modeling and Simulation of CSTR system
• Consider a single stage CSTR with a perfectly mixed
liquid in it.
• The reaction takes place at a rate constant k. The
reaction is of first order and the liquid is
incompressible (density is constant).
• The initial concentration of A is CA0 and the final
concentration after reaction time t is CA.
• The inlet and outlet flow rates of A are F0 and F
respectively, where F is the forcing function.
• The hold up in the reactor after time t is V.
• Rate of reaction of A: -rA = kCA
• Total balance gives:

• Balance on reactant A gives: 


• Number of moles of A into the reactor-number
of moles of A out of the reactor-number of
moles of A reacted = number of moles of A
accumulated.
• Assuming a linear hydraulic relation between V
and F,:
• is the gain of the control valve
• Hence the mathematical model for the given
reaction system is given by:

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