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Chemical Modeling: From Atoms to Liquids
Alan Hinchliffe
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Description for Chemical Modeling: From Atoms to Liquids
Paperback. This text enables the reader to discuss everyday scientific topics in terms of the basic properties of the atoms, molecules, and polymer chains that go to make up a material. It also discusses the interactions between these fundamental building blocks. Num Pages: 314 pages, Illustrations. BIC Classification: PHD; PHQ; PHVQ; PNRP. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 192 x 248 x 25. Weight in Grams: 790.
Chemical Modeling: From Atoms to Liquids examines materials in terms of the basic properties of atoms, molecules and polymer chains. In particular, the interactions between these fundamental building blocks and the intermolecular and intramolecular potentials are examined. Fundamental theories of the constituent particles are covered, introducing and developing classical mechanics and quantum mechanics from basics. These theories are then applied to modeling, developing models from both classical mechanics and quantum mechanics. The book aims to make this subject both appealing and relevant, whilst avoiding excessive mathematical rigour.
Carefully structured, the text starts by introducing classical, quantum and statistical mechanics, before moving on to cover the modeling of solids, gases and liquids. To bring the subject alive, many real life examples and applications have been included. This book brings together the often scattered and diffuse background information that is essential for a full understanding of chemical modeling.
FEATURES
· Assumes no prior knowledge of modeling
· Brings together all the background information that a reader needs to know to fully understand modeling
· Develops classical and quantum mechanical theories from basics
· Avoids unnecessary mathematical rigour
· Includes a detailed mathematical 'Toolbox' as a ready reference
· Includes brief descriptions and web addresses of key software packages
CONTENTS: Introduction; Acknowledgements; Software Packages; Describing Macroscopic Systems; Thermodynamics; Résumé of Classical Mechanics; Modeling Simple Solids (I); Introduction to Quantum Mechanics; Electric Multipoles, Polarizabilities and Intermolecular Forces; Some Statistical Ideas; Applications of the Boltzmann Distribution; Modeling Simple Solids (II); Molecular Mechanics: Molecular Dynamics and Monte Carlo Techniques; The Ideal Monatomic Gas; Quantum Gases; Introduction to Statistical Thermodynamics; Modeling Atoms; Diatomics; Quantum Modeling of Larger Systems; Describing Electron Correlation; The Band Theory of Solids; Modeling Polymeric Materials; Modeling Liquids; Appendices; Suggestions for Further Reading; Index.
Carefully structured, the text starts by introducing classical, quantum and statistical mechanics, before moving on to cover the modeling of solids, gases and liquids. To bring the subject alive, many real life examples and applications have been included. This book brings together the often scattered and diffuse background information that is essential for a full understanding of chemical modeling.
FEATURES
· Assumes no prior knowledge of modeling
· Brings together all the background information that a reader needs to know to fully understand modeling
· Develops classical and quantum mechanical theories from basics
· Avoids unnecessary mathematical rigour
· Includes a detailed mathematical 'Toolbox' as a ready reference
· Includes brief descriptions and web addresses of key software packages
CONTENTS: Introduction; Acknowledgements; Software Packages; Describing Macroscopic Systems; Thermodynamics; Résumé of Classical Mechanics; Modeling Simple Solids (I); Introduction to Quantum Mechanics; Electric Multipoles, Polarizabilities and Intermolecular Forces; Some Statistical Ideas; Applications of the Boltzmann Distribution; Modeling Simple Solids (II); Molecular Mechanics: Molecular Dynamics and Monte Carlo Techniques; The Ideal Monatomic Gas; Quantum Gases; Introduction to Statistical Thermodynamics; Modeling Atoms; Diatomics; Quantum Modeling of Larger Systems; Describing Electron Correlation; The Band Theory of Solids; Modeling Polymeric Materials; Modeling Liquids; Appendices; Suggestions for Further Reading; Index.
Product Details
Publisher
John Wiley & Sons Inc United Kingdom
Number of pages
314
Format
Paperback
Publication date
1999
Condition
New
Number of Pages
412
Place of Publication
New York, United States
ISBN
9780471999041
SKU
V9780471999041
Shipping Time
Usually ships in 4 to 8 working days
Ref
99-1
About Alan Hinchliffe
Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK.
Reviews for Chemical Modeling: From Atoms to Liquids
"... the book is a valuable contribution to understanding the behavior of solids, liquids and gases...." (Colloid Polymer Science, June 2000) "An achievement of the author is the presentation of such sophisticated material in an interesting way." (High Temperatures - High Pressures, Vol 32/4, 2000) "... an interesting, eclectic and comprehensive mix of concepts from theoretical and physical chemistry" (Chemistry in Britain, January 2000) "... A book to be recommended and one that certainly deserves to become very popular — it will certainly be one of the well-worn books on my shelves. I hope it will run to several editions...." (Talanta, Volume 51) "... Any undergraduate taking a module in molecular modelling would do well to read this book...." (THES Textbook Supplement)