Chemical Modeling: From Atoms to Liquids / Edition 1

Chemical Modeling: From Atoms to Liquids / Edition 1

by Alan Hinchliffe
     
 

ISBN-10: 0471999032

ISBN-13: 9780471999034

Pub. Date: 10/28/1999

Publisher: Wiley

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…  See more details below

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; Resume 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.

Read More

Product Details

ISBN-13:
9780471999034
Publisher:
Wiley
Publication date:
10/28/1999
Pages:
314
Product dimensions:
7.66(w) x 9.98(h) x 1.11(d)

Table of Contents

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.

Customer Reviews

Average Review:

Write a Review

and post it to your social network

     

Most Helpful Customer Reviews

See all customer reviews >