TY - BOOK
DO - 10.1093/acprof:oso/9780198556213.001.0001
SN - 9780198556213
UR - http://www.oxfordscholarship.com/10.1093/acprof:oso/9780198556213.001.0001/acprof-9780198556213
TI - Theory of Molecular Fluids: Volume 2: Applications
T2 - International Series of Monographs on Chemistry
AU - Gray, Christopher G.
AU - Gubbins, Keith E.
AU - Joslin, Christopher G.
PB - Oxford University Press
CY - Oxford
PY - 2011
SP - 784
LA - eng
AB - 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 exhibit other kinds of electrostatic forces. This book describes the statistical mechanical theory of fluids of non-spherical molecules at equilibrium, and its application to the calculation of physical properties, and is a sequel to Theory of Molecular Fluids: Vol. 1: Fundamentals by C.G. Gray and K.E. Gubbins. The emphasis is on the new and diverse phenomena that arise due to the non-spherical nature of the molecules and of their intermolecular forces, such as new phase transitions, interfacial phenomena, structural features, and dielectric effects. In addition to application of perturbation theories and integral equation theories to physical property calculation, new theory is introduced as needed; for example, the theory of hard non-spherical particles, Kirkwoodâ€“Buff theory of mixtures,, the theory of associating liquids, density functional theory of inhomogeneous fluids, scattering theory of the structure factor, and the theory of dielectric phenomena and equilibrium spectral properties are treated. Throughout, tests of the theory against molecular simulation and experimental results are emphasized. The book contains chapters on the thermodynamic properties of pure and mixed fluids surface properties. X-ray and neutron diffraction structure factors dielectric properties, and spectroscopic properties. The book is aimed at senior undergraduates, graduate students, and research workers in chemistry, physics, life sciences, materials science, and engineering.
KW - liquids
KW - statistical mechanics
KW - fluids
KW - non-spherical molecules
KW - thermodynamic properties
KW - mixtures
KW - structure factor
KW - dielectric properties
KW - spectroscopic properties
KW - molecular simulation
ER