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Theory of Molecular Fluids$
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Christopher G. Gray, Keith E. Gubbins, and Christopher G. Joslin

Print publication date: 2011

Print ISBN-13: 9780198556213

Published to Oxford Scholarship Online: January 2012

DOI: 10.1093/acprof:oso/9780198556213.001.0001

THERMODYNAMIC PROPERTIES OF PURE FLUIDS

Chapter:
(p.627) 6 THERMODYNAMIC PROPERTIES OF PURE FLUIDS
Source:
Theory of Molecular Fluids
Author(s):

C.G. GRAY

K.E. GUBBINS

C.G. JOSLIN

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780198556213.003.0006

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 thermodynamic functions in terms of correlation functions and intermolecular forces, and includes discussion of quantum corrections and virial coefficients. The later parts of the chapter describe the application of molecular theory (perturbation theory, theory of hard non-spherical bodies, associating fluid theory) to the calculation of these properties, and compares these results with those from molecular simulations and experiments. The thermodynamics of nano-scale systems, in which some macroscopic laws and concepts may break down, are discussed at the end of the chapter. The mathematics of convex body geometry is given in an appendix.

Keywords:   thermodynamic properties, convex body fluids, quantum corrections, associating fluids, nano-scale systems, virial coefficients, perturbation theory, scaled particle theory, geometry of convex bodies, molecular simulation

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