Modelling and Simulation in Chemical Engineering

Modelling and simulation stages Classification of models Steady state process Unsteady state process Molecular modeling Computational Chemistry Computational fluid dynamics Optimization Artificial Intelligence Neural Networks Process control Estimation of parameters Process integration and synthesis Chemometrics Transport phenomena modeling Reactor modeling Chemical Reaction modeling Complex models Stochastic mathematical modeling Stochastic differential equations system for mass and heat transport Methods for solving stochastic models Numerical methods for solving stochastic models Stochastic modeling case studies [Axial mixing of liquid in a MWPB molecular motion in porous media physisorption etc] Stochastic models for processes involving discrete displacement Distributions of random variables Statistical hypotheses Correlation regression and linear regression Experimental design methods Analysis of variances and interactions of factors Dimensional Analysis and Modeling Vaschy Buckingham Pi theorem Physical models and Similitude Similitude theory HyperChem computational chemistry tool presentation Spartan computational chemistry tool presentation CFD computational tool presentation MatLab computational package presentation Recent breakthroughs and advances Summary Conclusions and analysis of near future achievements Statistical models