Chemical Modeling: From Atoms to Liquids
Zoomicon-zoom-in
Chemical Modeling: From Atoms to Liquids
Chemical Modeling: From Atoms to Liquids

Chemical Modeling: From Atoms to Liquids

By
Alan Hinchliffe (Author)  

Paperback

In Stock

Quantity
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.
Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK.
  • Contributor: Alan Hinchliffe
  • Imprint: John Wiley & Sons Inc
  • ISBN13: 9780471999041
  • Number of Pages: 412
  • Packaged Dimensions: 190x246x24mm
  • Packaged Weight: 879
  • Format: Paperback
  • Publisher: John Wiley & Sons Inc
  • Release Date: 1999-08-10
  • Binding: Paperback / softback
  • Biography: Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK.

Delivery Options

Home Delivery

Store Delivery

Free Returns

We hope you are delighted with everything you buy from us. However, if you are not, we will refund or replace your order up to 30 days after purchase. Terms and exclusions apply; find out more from our Returns and Refunds Policy.