The Kirkwood-Buff Theory of Solutions: With Selected Applications to Solvation and Proteins presents the Kirkwood-Buff (KB) Theory of solution in a simple and didactic manner, making it understandable to those with minimal background in thermodynamics. Aside from the fact that the KB Theory may be the most important and useful theory of solutions, it is also the most general theory that can be applied to all possible solutions, including aqueous solutions of proteins and nucleic acids. Introductory chapters give readers grounding in the necessary chemical thermodynamics and statistical mechanics, but then move to a systematic derivation of Kirkwood-Buff theory and its inversion.
Originally published in 1951, the KB theory was dormant for over 20 years. It became extremely useful after the publication of the "Inversion of the KB theory" by the author Arieh Ben-Naim in 1978. The book explains all necessary concepts in statistical mechanics featured in the theory in a simple and intuitive way. Researchers will find the theory useful in solving any problem in mixtures or solutions in any phase. Some examples of applications of the KB theory, to water, aqueous solutions, protein folding, and self-association of proteins, are provided in the book.
- Presents an authoritative accounting of the Kirkwood-Buff (KB) Theory of solution as well as the derivation of the inversion of the Kirkwood-Buff Theory
- Provides a grounding in the necessary chemical thermodynamics and statistical mechanics
- Features useful examples of the applications of KB Theory to water, aqueous solutions, protein folding, and self-association of proteins
- Written by world-renowned expert Arieh Ben-Naim, who himself developed the "inversion" of Kirkwood-Buff theory
1. Introduction to the connection between Thermodynamics and Statistical Thermodynamics2. Molecular distribution functions and Thermodynamic quantities3. The Kirkwood-Buff Theory and its Inversion4. Characterization of "Ideal Solutions" using the KBIs5. A few applications of the KBT6. Solute and solvent effects on chemical equilibria7. Solvation, Preferential Solvation and KBIs8. Application of the KBT to solutions of Biomolecules
Appendix A: Long-range behavior of the pair correlation function in liquids and liquid mixturesAppendix B: An inequality due to the stability condition for the chemical equilibrium
Arieh Ben-Naim is Emeritus Professor of physical chemistry who retired in 2003 from the Department of Chemistry, Hebrew University of Jerusalem, Israel. He has made major contributions over 40 years to the theory of the structure of water, aqueous solutions, and hydrophobic-hydrophilic interactions. He is mainly concerned with theoretical and experimental aspects of the general theory of liquids and solutions. In recent years, he has advocated the use of information theory to better understand and advance statistical mechanics and thermodynamics. He has authored more than 230 journal papers and 30 books
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