Molecular Models for Fluids

ISBN-13: 9780521852401 / Angielski / Twarda / 2007 / 408 str.

Klaus Lucas (Aachen University of Technology)

Opis

This 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.

Recenzje

Review of the hardback: ' … would I recommend this book to my postgraduate students? Actually I would. it makes a much-needed contribution to the modernisation of chemical engineering.' Chemistry World

Spis treści

Nomenclature; 1. Introduction; 2. Foundations; 3. The ideal gas; 4. Excess function models; 5. Equation of state models; Appendices; Index.