The Resource Modeling Chemical Systems using Cellular Automata, by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng, (electronic resource)

Modeling Chemical Systems using Cellular Automata, by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng, (electronic resource)

Label
Modeling Chemical Systems using Cellular Automata
Title
Modeling Chemical Systems using Cellular Automata
Statement of responsibility
by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng
Creator
Contributor
Author
Author
Subject
Language
  • eng
  • eng
Summary
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 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. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. 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 - 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. There are no course directors who would use Cellular Automata exclusively. 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
http://library.link/vocab/creatorName
Kier, Lemont B
Dewey number
511.3
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsaut
  • O3Xkx4Nc8bw
  • CNAvlmpx6jo
  • yfz41HQF5rw
Language note
English
LC call number
QD39.3.E46
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • Seybold, Paul G.
  • Cheng, Chao-Kun.
http://library.link/vocab/subjectName
  • Chemistry
  • Chemistry
  • Chemistry, Physical organic
  • Computer simulation
  • Computer Applications in Chemistry
  • Math. Applications in Chemistry
  • Physical Chemistry
  • Theoretical and Computational Chemistry
  • Simulation and Modeling
Label
Modeling Chemical Systems using Cellular Automata, by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1st ed. 2005.
Extent
1 online resource (181 p.)
Form of item
online
Isbn
9781280461361
Media category
computer
Media type code
  • c
Other control number
10.1007/1-4020-3690-6
Specific material designation
remote
System control number
  • (CKB)1000000000228667
  • (EBL)257108
  • (OCoLC)209848109
  • (SSID)ssj0000119227
  • (PQKBManifestationID)11145632
  • (PQKBTitleCode)TC0000119227
  • (PQKBWorkID)10056160
  • (PQKB)11146941
  • (DE-He213)978-1-4020-3690-3
  • (MiAaPQ)EBC257108
  • (EXLCZ)991000000000228667
Label
Modeling Chemical Systems using Cellular Automata, by Lemont B. Kier, Paul G. Seybold, Chao-Kun Cheng, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1st ed. 2005.
Extent
1 online resource (181 p.)
Form of item
online
Isbn
9781280461361
Media category
computer
Media type code
  • c
Other control number
10.1007/1-4020-3690-6
Specific material designation
remote
System control number
  • (CKB)1000000000228667
  • (EBL)257108
  • (OCoLC)209848109
  • (SSID)ssj0000119227
  • (PQKBManifestationID)11145632
  • (PQKBTitleCode)TC0000119227
  • (PQKBWorkID)10056160
  • (PQKB)11146941
  • (DE-He213)978-1-4020-3690-3
  • (MiAaPQ)EBC257108
  • (EXLCZ)991000000000228667

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