Course Title: 
Chemical Process Modelling and Simulation
Course Code: 
Year Taught: 
Undergraduate (UG)
School of Engineering

'Chemical Process Modelling and Simulation' is an elective course offered in the B. Tech. in Chemical Engineering program at School of Engineering, Amrita Vishwa Vidyapeetham, Coimbatore.

Unit 1

Chemical engineering problems; Modeling – Steps involved; Variables – Stream, Unit, and Process variables; Constraints – Conservation relations, Sources and sinks, Material, Energy, Momentum balances; Equilibrium relations, Constitutive models; Common assumptions in modeling; Types of models – Lumped, Distributed, and Staged parameter models; Design variables – Characteristic length, time, velocity, temperature, mass, force; Change of variables; Dimensionless groups in modelling.

Filling and draining tanks: Steady and unsteady states, Varying inlets and outlets, Level and flow control; Mixing tanks: Two and multiple streams, Composition control; Heated tank: Jacketed kettle with steam condensation, Electrical heating, Phase change; Isothermal CSTR: 1st and 2nd order reactions, Enzyme kinetics; Nonisothermal CSTR; Centrifugal separation.

Unit 2

Shell balances: Flow through a pipe, Continuity equation; Compressible fluid flow, Shock waves; Double-pipe heat exchanger: Steam condensing in shell/tube, Parallel vs counter flow; Pipeline flashing; Isothermal PFR: Component continuity equation, 1st and 2nd order reactions; Non-isothermal PFR: 1st and 2nd order reaction.

Triple effect evaporator; Binary distillation: continuous and batch columns; Multicomponent distillation: Underwood-Gilliland model; Gas absorption into a laminar liquid jet; Tray tower absorption: Kremser-Brown-Sauders equation, rigorous models; Reactive absorption in a wetted wall column; Multistagecountercurrent liquid-liquid extraction.

Unit 3

Selected Systems from the following: Multiple steady states and Stability: Isothermal and Non-isothermal CSTR; Temperature control in a non-isothermal PFR; Packed bed reactor; Polymerization: Bulk and Suspension polymerization; Membrane separation – Cross flow and reverse osmosis; Activated sludge process – secondary bioreactor; Pyrolysis of plastic; Chemical vapor deposition; Continuous, multicomponent distillation column; Dry flue gas desulfurization; Ball mill; Rotary kiln.

  • W. L. Luyben, Process Modeling, Simulation and Control for Chemical Engineers, 2nd Edition, McGraw Hill, 1996
  • C. L. Smith, R. W. Pike and P. W. Murrill, Formulation and Optimization of Mathematical Models, International Textbook Company, USA, 1970.
  • L. T. Biegler, E. I. Grossman and A. W. Westerberg, Systematic Methods of Chemical Process Design, Prentice Hall, 1997.