This 2007 book presents the development of modern molecular
models for fluids from the interdisciplinary fundamentals of
classical and statistical mechanics, of electrodynamics and of
quantum mechanics. The concepts and working equations of the
various fields are briefly derived and illustrated in the context
of understanding the properties of molecular systems. Special
emphasis is devoted to the quantum mechanical basis, since this is
used throughout in the calculation of the molecular energy of a
system. The book is application oriented. It stresses those
elements that are essential for practical model development. The
fundamentals are then used to derive models for various types of
applications. Finally, equation of state models are presented based
on quantum chemically based models for the intermolecular potential
energy and perturbation theory. The book is suited for graduate
courses in chemical and mechanical engineering, physics and
chemistry, but may also, by proper selection, be found useful on
the undergraduate level.
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