A molecular dynamics study of carbon dioxide in water: Diffusion, structure and thermodynamics

Molecular Physics

Volumn 94, Issue 6, 1998, Pages 963-972

  In Het Panhuis, M ^a   Lynden Bell, R M ^b  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001508330     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689798167539     Document Type: Article

References (50)

1. Princen, H. M., and Mason, S. G., 1965. J. Colloid Sci., 20:353
2. Princen, H. M., Overbeek, J. Th. G., and Mason, S. G., 1966. J. Colloid Interface Sci., 24:125
3. Dean, J. F., 1992. Lange's Handbook of Chemistry, 14th Edn, New York:McGraw-Hill.
4. Glazier, J. A., and Weaire, D., 1992. J. Phys. condensed Matter, 4:1867
5. Exerowa, D., Kashchiev, D., and Platikanov, D., 1992. Adv. Colloid Interface Sci., 40:201
6. Bolin, B., Döös, B. R., Jäger, J., and Warrick, R. A., 1986. The Greenhouse Effect, Climatic Change and Ecosystems, New York:Wiley.
7. Murthy, C. S., Singer, K., and McDonald, I. R., 1981. Molec. Phys., 44:275
8. Murthy, C. S., O'Shea, S. F., and McDonald, I. R., 1983. Molec. Phys., 50:531
9. Tsuzuki, S., Uchimaru, T., Tanabe, K., Kuwajima, S., Tajima, N., and Hirano, T., 1996. J. phys. Chem., 100:4400
10. Tsuzuki, S., Uchimaru, T., and Kuwajima, S., 1996. Chem. Phys. Lett., 255:347
11. Geiger, L. C., Ladanyi, B. M., and Chapin, M. E., 1990. J. chem. Phys., 93:4533
12. Svishchev, I. M., and Kusalik, P. G., 1995. Phys. Rev. Lett., 75:3289
13. Harris, J. G., and Yung, K. H., 1995. J. Phys. Chem., 99:12 021
14. Franks, F., 1973. Water:A Comprehensive Treatise, New York:Plenum Press.
15. Barker, J. A., and Watts, R. O., 1969. Chem. Phys. Lett., 3:144
16. Watanabe, K., and Klein, M. L., 1989. Chem. Phys., 131:157
17. Berendsen, H. J. C., Grigera, J. R., and Straatsma, T. P., 1987. J. phys. Chem., 91:6269
18. Alejandre, J., Tildesley, D. J., and Chapela, G. A., 1995. J. chem. Phys., 102:4574
19. Sokhan, V., and Tildesley, D. J., 1997. Molec. Phys., 92:625
20. Matsumoto, M., and Kataoka, Y., 1988. J. chem. Phys., 88:3233
21. Fogg, P. G. T., and Gerrard, W., 1991. Solubility of Gases in Liquids, Chichester:Wiley.
22. Rossi-Bernardi, L., and Berger, R. L., 1968. J. biol. Chem., 243:1297
23. Allen, M. P., and Tildesley, D. J., 1987. Computer Simulation of Liquids, Oxford:Clarendon Press.
24. Mc Quarrie, D. A., 1976. Statistical Mechanics, London:Harper & Row.
25. Zwanzig, R., 1961. Lectures in Theoretical Physics (Boulder), Vol. III, New York:Wiley.
26. Mori, H., 1965. Progs. theoret. Phys., 33:423
27. Mori, H., 1965. Progr. theoret. Phys., 34:399
28. Debye, P., 1929. Polar Molecules, New York:Chemical Catalog Company.
29. Lynden-Bell, R. M., and McDonald, I. R., 1981. Molec. Phys., 43:1429
30. Tildesley, D. J., and Madden, P. A., 1983. Molec. Phys., 48:129
31. Buckingham, A. D., and Disch, R. L., 1963. Soc. Lond. AProc. R., 273:275
32. van Gunsteren, W. F., and Berendsen, H. J. C., 1987. Groningen Molecular Simulation (Gromos) Library Manual, Biomos, Nijenborgh, 9747 AG Groningen The Netherlands
33. Herzberg, G., 1950. Molecular Spectra and Molecular Structure, Princeton, N.J.:Prentice-Hall.
34. Smith, W., and Forster, T. S., 1995. DL-POLY-2.4, UK:Daresbury Laboratory.
35. Ryckaert, J. P., Cicotti, G., and Berendsen, H. J. C., 1977. J. comput. Phys., 23:327
36. Hoover, W. G., 1985. Phys. Rev. A, 31:1695
37. Lynden-Bell, R. M., and Rasaiah, J. C., 1997. J. chem. Phys., 107:1981
38. Landau, L., and Lifshitz, E. M., 1980. Statistical Physics, 3rd Edn, Oxford:Pergamon Press. Part 1
39. Krynicki, K., Green, C. D., and Sayer, D. W., 1978. Faraday Discuss. chem. Soc., 66:199
40. Berendsen, H. J. C., Postma, J. P. M., vanGunsteren, W. F., DiNola, A., and Haak, J., 1984. J. chem. Phys., 81:3684
41. Egelstaff, P. A., 1992. An Introduction to the Liquid State, Oxford:Clarendon Press.
42. Coulson, J. M., and Richardson, J. F., 1990. Chemical Engineering, Oxford:Pergamon Press.
43. Davidson, J. F., and Cullen, M. A., 1957. Trans Inst. chem. Engrs, 35:51
44. Himmelblau, D. M., 1964. Chem. Rev., 64:527
45. Tamimi, A., Rinker, E. B., and Sandall, O. C., 1994. J. chem. Eng. Data., 39:330
46. Böhm, H. J., Lynden-Bell, R. M., Madden, P. A., and McDonald, I. R., 1984. Molec. Phys., 51:761
47. Lynden-Bell, R. M., and Somasundaran, T., in preparation
48. Lide, J. F., and Fredrikse, H. P. R., 1995. CRC Handbook of Chemistry and Physics, 75th edn, Boca Raton, FL:CRC Press.
49. Israelachvili, J. N., 1992. Intermolecular and Surface Forces, New York:Academic Press.
50. Marcus, Y. J., 1991. J. chem. Soc. Faraday Trans, 87:2997