Introduction

Learn the basic structure and composition of chemical kinetic mechanisms in gaseous and solid states. We will:

  • Explore the process of mechanism development, testing, and reduction;
  • Discuss the differences between elementary and global reactions, as well as detailed and reduced mechanisms;
  • Examine the process of chemical kinetic modeling and a number of software tools available for this purpose.

PREREQUISITE: Registrants should have prior knowledge of chemical kinetic basics or have taken the Essentials of Chemical Kinetics OnDemand course.

 

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Chemical Kinetic Mechanisms - Module 1

Module 1 Covers:

  • Gas-phase mechanisms
  • Elementary vs. global chemistry
  • Rate Law
  • Surface chemistry mechanisms
    • Langmuir-Hinshelwood model 
    • Eley-Rideal model
  • How mechanisms are tested


Chemical Kinetic Mechanisms - Module 2

Module 2 Covers:

  • Mechanism reduction methods
  • Other data necessary for chemical kinetic simulations
    • Thermodynamic data 
    • Transport data
  • Choosing software tools for Chemical Kinetic Modeling
  • Some software options for Chemical Kinetic Modeling