Overview

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.

Full Product Details

Author:   Alan Hinchliffe (Reader in Chemistry, UMIST (University of Manchester Institute of Science and Technology), Manchester M60 1QD, United Kingdom)
Publisher:   John Wiley & Sons Inc
Imprint:   John Wiley & Sons Inc
Dimensions:   Width: 19.00cm , Height: 2.40cm , Length: 24.60cm
Weight:   0.879kg
ISBN:  

9780471999041

ISBN 10:   0471999040
Pages:   412
Publication Date:   10 August 1999
Audience:   College/higher education ,  Professional and scholarly ,  Undergraduate ,  Postgraduate, Research & Scholarly
Format:   Paperback
Publisher's Status:   Active
Availability:   Out of stock  
The supplier is temporarily out of stock of this item. It will be ordered for you on backorder and shipped when it becomes available.

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Reviews

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

Author Information

Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK.

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