Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 80, Issue 6, 2009, Pages

  Molina, John Jairo ^a,b,c   Dufrêche, Jean François ^a,b,c   Salanne, Mathieu ^a,b   Bernard, Olivier ^a,b   Jardat, Marie ^a,b   Turq, Pierre ^a,b  

^a SORBONNE UNIVERSITÉ   (France)

^b CNRS   (France)

^c INSTITUT DE CHIMIE SÉPARATIVE DE MARCOULE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM MODEL; ANALYTICAL EXPRESSIONS; CHARGED HARD SPHERES; EFFECTIVE POTENTIALS; ELECTROLYTE SOLUTIONS; EXPLICIT SOLVENTS; IMPLICIT SOLVENT MODEL; ION ASSOCIATION; MOLECULAR DESCRIPTIONS; NACL SOLUTION; PERTURBATION THEORY; THERMODYNAMIC AND STRUCTURAL PROPERTIES;

IONS; PERTURBATION TECHNIQUES; SODIUM CHLORIDE;

ELECTROLYTES;

EID: 77149120462     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.80.065103     Document Type: Article

References (21)

1. W. G. McMillan and J. E. Mayer, J. Chem. Phys. 13, 276 (1945). 10.1063/1.1724036
2. J. M. G. Barthel, H. Krienke, and W. Kunz, Physical Chemistry of Electrolyte Solutions (Springer, New York, 1998).
3. L. Blum, in Theoretical Chemistry: Advances and Perspectives, edited by, H. Eyring, and, D. Henderson, (Academic, New York, 1980), Vol. 5, pp. 1-66.
4. L. Blum and O. Bernard, J. Stat. Phys. 79, 569 (1995). 10.1007/BF02184871
5. J.-F. Dufrêche, J. Phys. Chem. B 109, 9873 (2005). 10.1021/jp050387y
6. P. Jungwirth and D. J. Tobias, Chem. Rev. 106, 1259 (2006). 10.1021/cr0403741
7. W. Kunz, P. LoNostro, and B. W. Ninham, Curr. Opin. Colloid Interface Sci. 9, 1 (2004). 10.1016/j.cocis.2004.05.004
8. B. Hess, C. Holm, and N. van der Vegt, Phys. Rev. Lett. 96, 147801 (2006). 10.1103/PhysRevLett.96.147801
9. I. Kalcher and J. Dzubiella, J. Chem. Phys. 130, 134507 (2009). 10.1063/1.3097530
10. S. Gavryushov and P. Linse, J. Phys. Chem. B 110, 10878 (2006). 10.1021/jp056871i
11. A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52, 3730 (1995). 10.1103/PhysRevE.52.3730
12. D. Horinek and R. R. Netz, Phys. Rev. Lett. 99, 226104 (2007). 10.1103/PhysRevLett.99.226104
13. M. Lund, P. Jungwirth, and C. E. Woodward, Phys. Rev. Lett. 100, 258105 (2008). 10.1103/PhysRevLett.100.258105
14. S. Van Damme, J. Phys. Chem. B 113, 3105 (2009). 10.1021/jp809947q
15. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, New York, 1986).
16. J. C. Rasaiah and R. M. Lynden-Bell, Philos. Trans. R. Soc. London, Ser. A 359, 1545 (2001). 10.1098/rsta.2001.0865
17. A. P. Lyubartsev and S. Marcelja, Phys. Rev. E 65, 041202 (2002). 10.1103/PhysRevE.65.041202
18. V. M. M. Lobo, Electrolyte Solutions, Data on Thermodynamic and Transport Properties (Coimbra Editora, Lisbon, Portugal, 1984), Vols. I-II.
19. G. Ciccotti, P. Turq, and F. Lantelme, Chem. Phys. 88, 333 (1984). 10.1016/0301-0104(84)85291-X
20. J.-F. Dufrêche, T. O. White, and J.-P. Hansen, Mol. Phys. 101, 1741 (2003). 10.1080/0026897031000085100
21. The average contact distance between a symmetric dumbbell and an infinite plane at β=0.