A critique of some recent suggestions to correct the Kirkwood-Buff integrals

Journal of Physical Chemistry B

Volumn 111, Issue 11, 2007, Pages 2896-2902

  Ben Naim, A ^a,b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CORRELATION METHODS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE;

KIRKWOOD-BUFF INTEGRALS;

INTEGRAL EQUATIONS;

EID: 34047202629     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0625356     Document Type: Article

References (11)

1. Matteoli, E. J. Phys. Chem. B 1997, 101 (47), 9800-9810.
2. The word "interaction" is used in the literature in different senses, sometimes referring to the direct intermolecular interactions and sometimes to the potential of mean force (PMF). Even if one understands the term "interaction" as the potential of mean force, the KBIs are integrals over the PMF and do not provide any details on the PMF themselves. However, it is clear from the content of ref 1 that the author is referring to the direct interactions between the molecules.
3. Ben-Naim, A. Molecular Theory of Solutions; Oxford University Press: Oxford, U.K., 2006.
4. Matteoli, E.; Lepori, L. J. Chem. Soc., Faraday Trans. 1995, 91 (3), 431-436.
5. Marcus, Y. Solvent Mixtures: Properties and Selective Salvation; Marcel Dekker, Inc.: New York, 2002.
6. Shulgin, I. L.; Ruckenstein, E. J. Chem. Phys. 2005, 123 (5), 054909.
7. Kirkwood, J. G.; Buff, F. P. J. Chem. Phys. 1951, 19 (6), 774-777.
8. Ben-Naim, A. J. Chem. Phys. 1977, 67 (11), 4884-4890.
9. Ben-Naim, A. Solvation Thermodynamics; Plenum Press: New York, 1987.
10. Ben-Naim, A. Statistical Thermodynamics for Chemists and Biochemists; Plenum Press: New York, 1992.
11. Ben-Naim, A. J. Phys. Chem, 1989, 93 (9), 3809-3813.