Modeling Chemical Systems Using Cellular Automata [E-Book] : A textbook and laboratory manual / by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng.
Kier, Lemont B. (author)
Cheng, Chao-Kun. (author) / Seybold, Paul G. (author)
Dordrecht : Springer Netherlands, 2005
VIII, 175 p. online resource.
Full Text
Table of Contents:
  • Preface
  • Modeling Nature: The System. States of the System. Models in Chemistry
  • Cellular Automata: What are Cellular Automata. The Grid and the Cells. The Rules. Running a Simulation. The Output. Putting it all Together. Applications
  • Water as a System: Experimental Design. The Movement Rules. The Attributes Recorded. Other Liquids. Applications
  • Solution Systems: The Rules. Applications
  • Dynamic Aqueous Systems: Oil-Water Demixing. Micelle Formation. Crystal Formation. Percolation
  • Water Surface Effects: Water-Surface Encounters. Chromatography. Membrane Permeability
  • First Order Chemical Kinetics: Exponential Decay. First Order Equilibrium. Series Reactions. Parallel Reactions. Kinetic and Thermodynamic Reaction Control
  • Second Order Chemical Kinetics: Second Order Models
  • Additional Applications in Chemical Kinetics: Enzyme Kinetics. Liquid-Vapor Equilibrium
  • Use of the CASim Program: The System and Program. Organization of the CA Program. Setting up a Simulation
  • Index
  • CD-ROM included.