Modeling and Simulation in Chemical Engineering

Date/Time: Date(s) - 03/08/2020 - 07/08/2020( 8:00 am - 2:00 pm )
Location: France, Paris

Modeling and Simulation in Chemical Engineering


Modeling and Simulation of physical and chemical processes are modern accurate tools for the prediction of properties, optimization of processes, and understanding of nature itself. Today’s computational power and modern approaches to continuously increase that power has provided with an unprecedented opportunity for modeling and simulation in demanding fields, such as chemical engineering. Different approaches of varying accuracy and requirements in time and infrastructure exist that lead to minimization of research times, discovery of novel compounds and manufacturing pathways, identification of problematic stages in chemical and power plants, and understanding of physical and chemical pathways. This scientific seminar includes the presentation of all methods, technologies, means and tools for modeling and simulation in chemical engineering.


  • An overview of all types of modeling and simulation approaches
  • Understanding of modeling and simulating physical and chemical processes
  • Understanding of theories of modeling and simulation
  • Understanding the mathematical background of each approach
  • Understanding the physical background of each approach
  • Understanding of the potential of application of modeling and simulation in chemical engineering and chemistry
  • Knowledge on setting up simulations and using computational tools
  • Knowledge on using information from modeling and simulation
  • Overview of popular computational chemistry and mathematical tools
  • Understanding of evaluating time savings from modeling and simulation usage


  • Modeling 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


  • 35% Lectures & Theories
  • 40% Workshops, Assessments, Group Work & Exercises
  • 20% Role Play & Case Studies
  • 05% Videos
  • Pre-Test and Post Test
  • Test Results Sheet
  • Trainee Performance Analysis Reports


  • Case Studies
  • Group Discussions
  • Group & Individual exercise
  • Intensive Workshop by using templates, Diagrams & Charts
  • Planning Activities
  • Presentations
  • Self Assessments
  • Assignments
  • Combine case studies, and analysis of real world examples
  • Action plan

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