Modeling Chemical Systems Using Cellular Automata A textbook and laboratory manual /

• Κύριοι συγγραφείς: Kier, Lemont B. (Συγγραφέας), Seybold, Paul G. (Συγγραφέας), Cheng, Chao-Kun (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands, 2005.
• Θέματα: Chemistry.; Chemoinformatics.; Chemometrics.; Physical chemistry.; Chemistry, Physical and theoretical.; Computer simulation.; Computer Applications in Chemistry.; Math. Applications in Chemistry.; Physical Chemistry.; Theoretical and Computational Chemistry.; Simulation and Modeling.

Molecular Modeling using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed...

Πίνακας περιεχομένων:

• 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.