Syllabus - Computation Methods in Chemical Engineering (CM-503 (A))

Chemical Engineering

Computation Methods in Chemical Engineering (CM-503 (A))

V-Semester

Unit I

Treatment of engineering data: Graphical representation. Empirical equations, Interpolation, Newton’s formula, Lagrange’s Interpolation formula, extrapolation, Integration, Graphical Integration, Graphical Construction of Integral curves, Numerical Integration.

Unit II

Interpretation of Engineering Data: Significant figure, Classification of Measurements, Propagation of Errors, Variation and Distribution of Random Errors, Properties of Variance, Confidence limits for small samples.

Unit III

Ordinary Differential Equations: Formulation, Application of Law of Conservation of Mass– Mixing in flow process. Classification of ordinary Differential Equations and its applications to common Chemical Engineering problem

Unit IV

Numerical Solutions of Ordinary Different Equations: Linear Second– order Equations with variable coefficients, Numerical solution by Runge Kutta Method. Its application to higher–order equations

Unit V

Formulation of partial Different Equations: Finite difference, linear finite difference equations, non-linear difference equations, Optimization, types of methods, its application relating to chemical processes.

Course Objective

The objective of subject to understand the applications of computational techniques for chemical engineering calculations numerical techniques in chemical engineering calculations.

Practicals

  • Data representation and treatment by Graphical methods, Pressure- Volume-Temperature and concentration relationships for gases and their mixtures.

  • Integrated methods of data processing. Integral functions and their graphical representation.

  • Estimation of properties from empirical correlations (Nokay)

  • Estimation of critical properties from group contribution method.

  • Redlich-Kwong equation of state and other Virial equations to estimate thermodynamic properties like compressibility factor, molar volume and P-V-T relationships.

  • To study the effect of liquid viscosity and dissolved gases on pump efficiency, reciprocating pump performance.

  • Measurement errors their propagation and minimization of random errors. Selection of confidence limits.

  • Mass balance problems using continuity equation applied to a dynamic system. Formation of differential equations (component balance) and their solution & examples – CSTR and flow through pipes.

  • Numerical Solutions of batch reactor problems. Euler Algorithm

  • Runge-Kutta algorithm and its application in chemical Engineering. Implicit and explicit calculations. Problems related to effect design, optimum liquid concentration.

  • Transient flow of fluid unsteady temperature and varying concentration problems and use of partial differential equation to solve them.

Reference Books

  • Mickley HS, Sherwood and Reed; Applied Mathematics in Chemical Engineering; TMH pub.

  • Jenson & Jeffrey’s; Mathematical Methods In Chemical Engineering; Mc Graw Hill

  • Luyben WL; Process modeling, simulation and control for chemical engineer; Mc Graw Hill