The Potential Distribution Theorem and Models of Molecular Solutions - Hardcover

Beck, Tom L.; Paulaitis, Michael E.; Pratt, Lawrence R.

Hardcover

ISBN 10: 0521822157 ISBN 13: 9780521822152

Publisher: Cambridge University Press, 2006

Synopsis

An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.

About this title

Book Description

An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This book explains molecular solution modeling utilising the potential distribution theorem. The text is illustrated with models of solution thermodynamics, numerous exercises and is intended for research students working in the field of molecular science.

About the Author

Lawrence R. Pratt works in the Theoretical Chemistry and Molecular Physics Group at Los Alamos National Laboratory. His research focuses on theoretical problems in chemical physics, but especially theory of molecular solutions and hydration problems in molecular biophysics.

Edition details

• Publisher: Cambridge University Press
• Publication date: 2006
• Language: English
• ISBN 10: 0521822157
• ISBN 13: 9780521822152
• Binding: Hardcover
• Edition number: 1
• Number of pages: 246