Molecular Models for Fluids

Description

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.

Professor Lucas has been the Chair of Thermodynamics at RWTH Aachen University since 2000. He previously held positions at the University of Stuttgart, the University of Duisburg, and as the Scientific Director for the Institute of Energy and Environmental Technology, Duisburg Rheinhausen from 1998 to 2002. He is a Member of the Berlin Brandenburg Academy of Sciences and Humanities, and ACATECH, German National Academy of Engineering and is a consultant to various industrial companies in the field of energy and chemical engineering. His research interests include the molecular modeling of fluids, energy systems analysis, phase and reaction equilibria in fluids. He is the author or co-author of more than 150 technical articles in scientific journals and is the author of a popular thermodynamics textbook.

' ... 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