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The Potential Distribution Theorem and Models of Molecular Solutions
 
 
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The Potential Distribution Theorem and Models of Molecular Solutions [Hardcover]

Tom L. Beck (Author), Michael E. Paulaitis (Author), Lawrence R. Pratt (Author)

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Book Description

0521822157 978-0521822152 September 18, 2006
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 an up-to-date 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.

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Editorial Reviews

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"The reader will find reading this book similar to driving through a scenic countryside with few signs. The absence of these is an advantage for the frequent traveler for whom such signs are a distraction, but the infrequent traveler may have some difficulties finding his or her way. With this caveat, the book is recommended."
Douglas Henderson, Journal of the American Chemical Society

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.

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Inside This Book (learn more)
Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
potential distribution theorem, distinguished solute, hydrophilic phenomena, distinguished molecule, entropy convergence temperature, mechanical ingredients, solvent centers, packing contributions, excess chemical potential, hydration free energy, thermodynamic necessities, hydration free energies, binomial moments, atomic liquids, hydroxide oxygen, observation volume, mixing free energy, molecular liquids, neutralizing background, molecular field theory, thermodynamic integration, default model, distinguished pair, ion hydration, excluded volume interactions
Key Phrases - Capitalized Phrases (CAPs): (learn more)
Monte Carlo
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Front Cover | Table of Contents | First Pages | Index | Surprise Me!
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