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Computer Simulation of Liquids: Second Edition

Michael P. Allen and Dominic J. Tildesley

Published in print:
2017
Published Online:
November 2017
ISBN:
9780198803195
eISBN:
9780191841439
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198803195.001.0001
Subject:
Physics, Theoretical, Computational, and Statistical Physics, Soft Matter / Biological Physics

This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in ... More


Theory of Molecular Fluids: Volume 2: Applications

Christopher G. Gray, Keith E. Gubbins, and Christopher G. Joslin

Published in print:
2011
Published Online:
January 2012
ISBN:
9780198556213
eISBN:
9780191729041
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198556213.001.0001
Subject:
Physics, Condensed Matter Physics / Materials

Existing texts on the theory of liquids treat only simple, spherical molecules. However, nearly all fluids of practical interest are composed of non-spherical molecules that are often dipolar or ... More


THERMODYNAMIC PROPERTIES OF PURE FLUIDS

C.G. GRAY, K.E. GUBBINS, and C.G. JOSLIN

in Theory of Molecular Fluids: Volume 2: Applications

Published in print:
2011
Published Online:
January 2012
ISBN:
9780198556213
eISBN:
9780191729041
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198556213.003.0006
Subject:
Physics, Condensed Matter Physics / Materials

This chapter gives an account of the statistical thermodynamics of pure fluids composed of non-spherical molecules. The early part of the chapter gives the derivation of equations for the various ... More


THERMODYNAMIC PROPERTIES OF MIXTURES

C.G. GRAY, K.E. GUBBINS, and C.G. JOSLIN

in Theory of Molecular Fluids: Volume 2: Applications

Published in print:
2011
Published Online:
January 2012
ISBN:
9780198556213
eISBN:
9780191729041
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198556213.003.0007
Subject:
Physics, Condensed Matter Physics / Materials

This chapter describes the statistical thermodynamics or mixtures of fluids of non-spherical molecules. A description of the qualitative phase behaviour observed for mixtures of varying degree of ... More


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