By Stuart A. Rice, Aaron R. Dinner
The Advances in Chemical Physics sequence offers the chemical physics box with a discussion board for severe, authoritative reviews of advances in each region of the self-discipline. This quantity explores the next themes:
- Thermodynamic Perturbation thought for Associating Molecules
- Path Integrals and powerful Potentials within the examine of Monatomic Fluids at Equilibrium
- Sponteneous Symmetry Breaking in subject prompted via Degeneracies and Pseudogeneracies
- Mean-Field Electrostatics past the Point-Charge Description
- First Passage procedures in mobile Biology
- Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydroen-Bonded Systems
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Additional resources for Advances in Chemical Physics, Volume 160
O (1)(c AB (1) The reference system Helmholtz free energy is given as follows: Aref kB T 1 ln 1 3 1 d 1 o cref (63) (o) The reference system cref contains all of the graphs in Eq. (59) which are devoid of association bonds. Subtracting Eq. (63) from (58) we obtain the following: A Aref kB T o 1 ln 1 Q 1 1 1 d 1 o c (64) (o) The association graph sum c ( o ) c ( o ) cref contains all the graphs in Eq. (59) which contain association bonds. 7. Equation (64) provides a very general starting point for the statistical mechanics of associating fluids and is exact so long as the system is pairwise additive, and the intermolecular potential can be separated into a reference and association portion as in Eq.
Gupta, R. B. Industrial & Engineering Chemistry Research 1998, 37, (12), 4823–4827. 17. Bol, W. Molecular Physics 1982, 45, 605. 18. Chapman, W. , PhD Thesis. 1988, Cornell University: Ithaca, NY. 19. ; Chapman, W. ; Gubbins, K. E. Molecular Physics 1988, 65, (1), 1–31. 20. ; Frenkel, D. The Journal of Chemical Physics 2003, 118, 9882. 21. ; Cummings, P. The Journal of Chemical Physics 2010, 133, 044502. 22. Wertheim, M. Journal of Statistical Physics 1984, 35, (1), 19–34. 23. Wertheim, M. Journal of Statistical Physics 1986, 42, (3), 459–476.
MARSHALL AND WALTER G. CHAPMAN 6. Association is independent of bond angles—There is no information in TPT1 on location of association sites. This is intimately related to approximations 3–5 above. 7. In Wertheim’s multi‐density formalism, pairwise additivity of the pair potential was assumed. Most polyfunctional hydrogen bonding molecules exhibit some degree of bond cooperativity (non‐pairwise additivity) . Hydrogen bond cooperativity is particularly important for hydrogen fluoride . In recent developments, a number of these approximations have been relaxed.
Advances in Chemical Physics, Volume 160 by Stuart A. Rice, Aaron R. Dinner