Gray C., Gubbins K. Theory of molecular fluids. Volume I: Fundamentals

Oxford: Oxford University Press, 1984. — 626 p.The books are aimed at beginning graduate students and research workers in chemistry, physics, and engineering. We assume an undergraduate knowledge of statistical mechanics, thermodynamics, elementary electromagnetic theory, and vector analysis. A few sections require some knowledge of quantum mechanics. Parts of the books have been used in graduate courses at Cornell, Guelph, Berkeley, and Florida. The books should be useful to experimentalists, as well as theorists, as we have included detailed derivations, tables of numerical results, and (in Volume 2) comparisons of theory and experiment.
Volume 1 is devoted to the basic principles. In the introductory chapter we discuss critically the basic assumptions underlying many of the later calculations. In Chapter 2 we describe the various kinds of isotropic and anisotropic intermolecular forces that are relevant for molecular fluids. Our discussion of the isotropic forces is brief, since they have been discussed in recent books on atomic fluids; we give a detailed discussion of the anisotropic forces, however. In Chapter 3 we describe and relate the various distribution functions and correlation functions which arise in the statistical mechanics of molecular fluids. Chapters 4 and 5 contain discussions of the perturbation and integral equation theories for the pair correlation functions and thermodynamic properties used in later chapters on applications. A number of technical points are relegated to appendices following particular chapters. There are also some general appendices on useful mathematical results, spherical tensor methods, multipole moments and polarizabilities, and virial and hypervirial theorems. Volume 1 is nearly self-contained; only in a few places do we utilize results derived in