Modelling and Simulation in Chemical Engineering

Day 1: Introduction to Modelling and Simulation Approaches

Modelling and Simulation Stages

• Overview of the stages in the modelling and simulation process
• Understanding the classification of models
• Introduction to steady-state and unsteady-state processes
• Overview of molecular modelling and computational chemistry

Computational Chemistry and Fluid Dynamics

• Introduction to Computational Chemistry Techniques
• Overview of computational fluid dynamics (CFD)
• The role of simulation in predicting fluid behaviour in chemical processes
• Use of CFD in optimizing chemical engineering systems

Day 2: Advanced Modelling Techniques

Optimization and Artificial Intelligence

• Introduction to optimization techniques in chemical engineering
• The role of artificial intelligence in process improvement
• Overview of neural networks for process control
• Applications of AI in optimizing chemical processes

Process Control and Estimation of Parameters

• Understanding process control in modelling and simulation
• Methods for estimating process parameters
• The role of parameter estimation in improving process accuracy
• Applications of estimation techniques in chemical engineering

Day 3: Stochastic and Complex Models

Stochastic Mathematical Modelling

• Introduction to stochastic models in chemical engineering
• Use of stochastic differential equations for mass and heat transport
• Methods for solving stochastic models
• Numerical methods for solving stochastic models

Applications of Stochastic Models

• Stochastic modelling case studies, such as axial mixing in MWPB and molecular motion in porous media
• Modelling processes involving discrete displacement and random variables
• Distribution of random variables in chemical processes
• Understanding statistical hypotheses and their role in modelling

Day 4: Statistical and Dimensional Analysis

Statistical Models and Analysis

• Introduction to statistical models in chemical engineering
• Techniques for correlation, regression, and linear regression
• Experimental design methods for modelling
• Analysis of variance and interactions of factors

Dimensional Analysis and Similitude

• Overview of dimensional analysis in chemical engineering
• Understanding the Vaschy-Buckingham Pi theorem
• Introduction to physical models and similitude theory
• Application of similitude theory in process modelling

Day 5: Computational Tools and Recent Advances

Computational Chemistry and CFD Tools

• Introduction to HyperChem computational chemistry tool
• Overview of Spartan Computational Chemistry Tool
• Presentation of CFD computational tools for simulation
• Using MATLAB for computational modelling in chemical engineering

Recent Breakthroughs and Future Prospects

• Summary of recent breakthroughs in modelling and simulation
• Analysis of near-future achievements in the field of chemical engineering
• Applications of simulation tools in future advancements
• Discussion on the future of modelling and simulation in chemical engineering