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[资源] 书籍推荐：Modeling Chemical Systems using Cellular Automata

http://www.cplbookshop.com/contents/C2427.htm

Edited by Lemont B. Kier, Paul G Seybold, Chao-Kun Cheng
Springer  November 2005

Hardcover with CD-ROM  VIII, 175 p  ISBN 1402036574    £99.00

This textbook and laboratory manual 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 descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies, and there is room for further original experimentation using the accompanying computer program (on CD Rom).

This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. It is not only a text, but includes a CD Rom which allows readily-assimilated, real-time experience with the methodology and practice of cellular automata simulations. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level.

The book includes:

Compact descriptions of a large variety of physical and chemical phenomena
An accompanying program (CD) for the study of these phenomena
Illustrative examples of simulations, with exercises for further study
An instructor's manual for use of the program.
The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment.

The book is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course.

The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use.

The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.

Written for undergraduate and graduate students in general, organic, physical and medicinal chemistry, beginning biology students in laboratory courses, bioinformatics students in Biology subject tracts, math students with interest in biological applications; engineering students, particularly chemical engineering students; academic administrators, for small colleges with limited budgets for expensive laboratories, models such as these can effectively replace costly lab setups

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.

这本书找了好久，国内基本没有。希望能够搞到这本书的大虾出手为大家贡献啊！！！

[ Last edited by csfn on 2008-12-29 at 20:12 ]

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