Syllabus - Chemical Process Modeling & Simulation (CM801)

Chemical Engineering

Chemical Process Modeling & Simulation (CM801)

VIII

Unit I

The role of analysis: chemical engineering problems, basic concepts of analysis; the analysis process, simple example of estimating an order, source of the model equations, conservation equations, constitutive equations, control volumes, dimensional analysis, system of units, dimensional consistency in mathematical descriptions, dimensional analysis and constitutive relationships, final observations.

Unit II

Non-Reacting Liquid Systems: Introduction, equation of continuity, simple mass balance, application of the model equations, component mass balances, model behavior: steady state behavior, un-steady state behavior, density assumption, numerical integration methods of ordinary differential equation; Reacting Liquid Systems: Introduction, basic model equations for a tank-type reactor, reaction rate, batch reactor, pseudo first-order reactions, reversible reactions, multiple reactions; consecutive reactions, parallel reactions, complex reactions, constant density assumption, order and stochiometry.

Unit III

Treatment of experimental data: Introduction, criteria for Best Fit, Best Slope-I, Best Slope-II, Best straight line, physical property correlations, fitting a quadratic, simulation examples of gravity fluid flow, heat and mass transfer, Monte-Carlo simulation.

Unit IV

Dynamic modeling of simple processes, sequential, simultaneous modular and equation oriented approaches, partitioning and tearing.

Unit V

Computer programming of various iterative convergence methods such as Newton-Ralphson, false position, Wegstein, Muller methods.

Practicals

  • Process dynamics experiments like flow of incompressible fluids at a variable flow rate.

  • Dynamics of a tank draining through an orifice in the bottom. Differential equation formulation and verification with the experimental data.

  • Mass balance in a tank filling at certain rate and emptying at another rate. Rectangular and wedge-shaped tank and incompressible fluid.

  • Modeling a batch reactor-verification of 151 and 2nd order rate kinetics.

  • Counter current double pipe heat exchanger modeling-data analysis by iterative methods.

  • Simulation of a distillation column-binary systems, equi-molal overflow, constant relative, volatility.

  • Input-Output response study in non-ideal flow reactors.

  • Simulation of a perfectly mixed reactor with heat transfer. Derivation of a mathematical model and solving for study state heat transfer.

Reference Books

  • Russell TWF; Introduction to Chemical Engineering Analysis - John Wiley & Sons

  • Luyben W.L; Process Modeling, Simulation And Control For Chemical Engineers; TMH

  • Jana ; Chemical process modeling and computer simulation; PHI Learning