ICTD International Centre for Training and Development

Chemical Reaction Engineering & Applied Chemical Kinetics

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About the course

Chemical reactions occur in a variety of different systems and are essential in a number of technological areas including the automotive industry, the chemical and petroleum industries, fuel cell and fuel processing industries, and environmental engineering, the goal of this course is to provide a background in the practical aspects of kinetics, catalysis, and reaction engineering. The fundamentals of catalysis and transport will be applied in the analysis and design of reacting systems.

## Course Objectives

Upon successful completion of this course, the delegates will be able to:

  • Update your knowledge in applied kinetics, catalysis, and reactor design and analysis
  • Apply techniques for modeling chemically reacting systems
  • Learn how to design experiments, select reactors and analytical methods, and apply statistics in reaction engineering and catalysis research.
  • Familiarize participants with developments in key technical areas including fuel cell and fuel processing catalysis
  • Derive a rate expression based on catalytic reaction mechanisms (elementary steps)
  • Calculate the apparent reaction order and activation energy for a catalytic mechanism
  • Derive a mathematical model for the combined diffusion and reaction in a catalyst pellet
  • Calculate an approximate value of the effectiveness factor for any reaction in any geometry
  • Understand trends of the catalytic performance of heterogeneous catalysts
  • Describe a number of important mechanisms for catalyst deactivation
  • Provide a link between surface science studies and those on real catalysts
  • Calculate the reaction order and activation energy for a gas phase reaction based on experimental data; Calculate Arrhenius parameters for an elementary reaction from experimental data
  • Apply steady state and partial equilibrium analysis on a detailed reaction mechanism
  • Calculate kinetic or thermodynamic parameters based on the relationship between rate constants and equilibrium constants
  • Apply collision theory and transition state theory to estimate rate constants
  • Establish a reaction mechanism for a chemical process based on data bases

Course Outline

Day 1

  • Reaction rate and kinetic constant
  • Thermodynamic consistence
  • Material balances in reacting systems
  • Structure of a reacting system:
  • consecutive reactions, simultaneous reactions, complex reactions
  • Radical reactions
  • Pseudo steady state and rate determining step approximations

Day 2

  • Physical and chemical adsorption
  • Mechanism of catalytic reactions
  • Kinetic theory of gases
  • Statistical thermodynamics and quantum mechanics
  • Definition of microstate, microcanonical ensemble

Day 3

  • Canonical ensemble (system in contact with a thermal bath)
  • Partition function and its evaluation for a perfect gas
  • Transition state theory
  • Heterogeneous reactions
  • Chemistry of reaction in solution
  • Bronsted-Bjerrum theory
  • Interpretation of laboratory kinetic data

Day 4

  • Elementary reactions and complex reaction mechanisms
  • Pyrolysis, partial oxidation and combustion
  • Ideal reactors:
  • batch reactors, plug flow and perfectly mixed reactors
  • Steam cracking furnaces and pyrolysis coils
  • Fixed bed catalytic reactors
  • Heterogeneous models and effectiveness factor

Day 5

  • Fixed bed catalytic reactors
  • Heterogeneous models and effectiveness factor
  • Importance of diffusion limitations
  • Fluidized bed reactors
  • Multiphase flow reactors
  • Non ideal reactors and age distribution functions
  • Transient behaviour and stability of operation
  • Mathematical modelling of ideal chemical reactors and simple solution are presented in order to better understand the relative role and importance of chemical kinetics and transport phenomena in different reactors of industrial relevance

Course Methodology

A variety of methodologies will be used during the course that includes:

  • (30%) Based on Case Studies
  • (30%) Techniques
  • (30%) Role Play
  • (10%) Concepts
  • Pre-test and Post-test
  • Variety of Learning Methods
  • Lectures
  • Case Studies and Self Questionaires
  • Group Work
  • Discussion
  • Presentation

Who should attend

This course is intended for all chemical, environmental, mechanical, process and electrochemist engineers, laboratory analyst, chemists and electrochemists, and others with a technical background will benefit from this course.

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