Ion association in aqueous LiCl solutions at high concentration: Predicted results via molecular simulation

Journal of Chemical Physics

Volumn 124, Issue 15, 2006, Pages

  Chialvo, Ariel A ^a   Simonson, J Michael ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS LICL SOLUTIONS; ISOTOPIC SUBSTITUTIONS; MOLECULAR DYNAMICS SIMULATIONS; WEIGHTED CORRELATION FUNCTIONS;

ASSOCIATION REACTIONS; COMPUTER SIMULATION; CORRELATION THEORY; IONS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; SOLUTIONS;

LITHIUM COMPOUNDS;

EID: 34547237405     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2186641     Document Type: Article

References (29)

1. J. E. Enderby, Chem. Soc. Rev. 24, 159 (1995).
2. G. W. Neilson and J. E. Enderby, J. Phys. Chem. 100, 1317 (1996).
3. A. K. Soper, G. W. Neilson, and J. E. Enderby, J. Phys. C 10, 1793 (1977).
4. A. K. Soper, Faraday Discuss. 103, 41 (1996).
5. J. E. Enderby, S. Cummings, G. J. Herdman, G. W. Neilson, P. S. Salmon, and N. Skipper, J. Phys. Chem. 91, 5851 (1987).
6. D. H. Powell, G. W. Neilson, and J. E. Enderby, J. Phys.: Condens. Matter 1, 8721 (1989).
7. G. W. Neilson and J. E. Enderby, Proc. R. Soc. London 0962-8444 A390, 353 (1983); D. H. Powell, G. W. Neilson, and J. E. Enderby, J. Phys.: Condens. Matter 5, 5723 (1993).
8. G. W. Neilson and J. E. Enderby, Proc. R. Soc. London 0962-8444 A390, 353 (1983); D. H. Powell, G. W. Neilson, and J. E. Enderby, J. Phys.: Condens. Matter 5, 5723 (1993).
9. I. Howell and G. W. Neilson, J. Phys.: Condens. Matter 8, 4455 (1996).
10. A. A. Chialvo and J. M. Simonson, Mol. Phys. 100, 2307 (2002).
11. A. A. Chialvo and J. M. Simonson, J. Chem. Phys. 119, 8052 (2003).
12. D. H. Powell and G. W. Neilson, J. Phys.: Condens. Matter 2, 5867 (1990).
13. J. R. Newsome, G. W. Neilson, and J. E. Enderby, J. Phys. C 0022-3719 10.1088/0022-3719/13/32/001 13, L923 (1980); K. Ichikawa, Y. Kameda, T. Matsumoto, and M. Misawa, J. Phys. C 17, L725 (1984).
14. J. R. Newsome, G. W. Neilson, and J. E. Enderby, J. Phys. C 0022-3719 10.1088/0022-3719/13/32/001 13, L923 (1980); K. Ichikawa, Y. Kameda, T. Matsumoto, and M. Misawa, J. Phys. C 17, L725 (1984).
15. D. M. North, J. E. Enderby, and P. A. Egelstaf, J. Phys. C 1, 784 (1968).
16. J. G. Powles, Adv. Phys. 22, 1 (1973).
17. M. C. Bellissent-Funel, L. Bosio, and J. Teixeira, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/3/22/016 3, 4065 (1991); D. G. Montague and J. C. Dore, Mol. Phys. 0026-8976 57, 1035 (1986); J. G. Powles, Mol. Phys. 0026-8976 42, 757 (1981); P. Damay, F. Leclercq, and P. Chieux, Phys. Rev. B 41, 9676 (1990).
18. M. C. Bellissent-Funel, L. Bosio, and J. Teixeira, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/3/22/016 3, 4065 (1991); D. G. Montague and J. C. Dore, Mol. Phys. 0026-8976 57, 1035 (1986); J. G. Powles, Mol. Phys. 0026-8976 42, 757 (1981); P. Damay, F. Leclercq, and P. Chieux, Phys. Rev. B 41, 9676 (1990).
19. M. C. Bellissent-Funel, L. Bosio, and J. Teixeira, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/3/22/016 3, 4065 (1991); D. G. Montague and J. C. Dore, Mol. Phys. 0026-8976 57, 1035 (1986); J. G. Powles, Mol. Phys. 0026-8976 42, 757 (1981); P. Damay, F. Leclercq, and P. Chieux, Phys. Rev. B 41, 9676 (1990).
20. M. C. Bellissent-Funel, L. Bosio, and J. Teixeira, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/3/22/016 3, 4065 (1991); D. G. Montague and J. C. Dore, Mol. Phys. 0026-8976 57, 1035 (1986); J. G. Powles, Mol. Phys. 0026-8976 42, 757 (1981); P. Damay, F. Leclercq, and P. Chieux, Phys. Rev. B 41, 9676 (1990).
21. G. Walford and J. C. Dore, Mol. Phys. 0026-8976 34, 21 (1977); G. Walford, J. H. Clarke, and J. C. Dore, Mol. Phys. 33, 25 (1977).
22. G. Walford and J. C. Dore, Mol. Phys. 0026-8976 34, 21 (1977); G. Walford, J. H. Clarke, and J. C. Dore, Mol. Phys. 33, 25 (1977).
23. V. F. Sears, Neutron News 3, 29 (1992).
24. D. H. Powell, A. C. Barnes, J. E. Enderby, G. W. Neilson, and P. S. Salmon, Faraday Discuss. Chem. Soc. 85, 137 (1988).
25. S. H. Lee and J. C. Rasaiah, J. Phys. Chem. 0022-3654 10.1021/jp953050c 100, 1420 (1996); S. Koneshan, J. C. Rasaiah, and L. X. Dang, J. Chem. Phys. 114, 7544 (2001).
26. S. H. Lee and J. C. Rasaiah, J. Phys. Chem. 0022-3654 10.1021/jp953050c 100, 1420 (1996); S. Koneshan, J. C. Rasaiah, and L. X. Dang, J. Chem. Phys. 114, 7544 (2001).
27. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
28. L. X. Dang, J. Chem. Phys. 96, 6970 (1992).
29. K. Tanaka and R. Tamamushi, Z. Naturforsch. A 46A, 141 (1991).