Molecular structure of the water-supercritical CO2 interface

Journal of Physical Chemistry B

Volumn 105, Issue 48, 2001, Pages 12092-12104

  Da Rocha, Sandro R P ^a   Johnston, Keith P ^a   Westacott, Robin E ^b   Rossky, Peter J ^b  

^a The University of Texas at Austin   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB INTERACTIONS;

BINARY MIXTURES; CARBON DIOXIDE; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PROBABILITY; SUPERCRITICAL FLUIDS;

SURFACE CHEMISTRY;

EID: 0035819212     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012439z     Document Type: Article

References (80)

1. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F. J. Phys. Chem. B 1999, 103, 8930-8939.
2. Marrink, S.-J.; Berendsen, H.J.C. J. Phys. Chem. 1994, 98, 4155-4168.
3. Girault, H.H.J.; Schiffrin, D.J. In Electroanalytical Chemistry; Bard, A.J., Ed.; Dekker: New York, 1989.
4. Electrochemistry on Liquid/Liquid Interfaces; Vanysek, P., Ed.; Springer-Verlag: Berlin, 1985; Vol. 39.
5. Benjamin, I. Science 1993, 261, 1558-1560.
6. Fulton, J.L. In Microemulsions: Fundamentals and Applied Aspects; Kumar, P., Ed.; Marcel Dekker: New York, 1999.
7. McFann, G.J.; Johston, K.P. In Microemulsions: Fundamentals and Applied Aspects; Kumar, P., Ed.; Marcel Dekker: 1999; p 28.
8. Johnston, K.P.; Jacobson, G.B.; Lee, C.T.; Meredith, C.; da Rocha, S.R.P.; Yates, M.Z.; DeGrazia, J.; Randolph, T.W. In Chemical Synthesis Using Supercritical Fluids; Jessop, P.G., Leitner, W., Eds.; Wiley-VCH: Weinheim, 1999; pp 127-146.
9. Johnston, K.P.; da Rocha, S.R.P.; Holmes, J.D.; Jacobson, G.B.; Lee, C.T.; Yates, M.Z. In Green Chemistry Using Liquid and Supercritical Carbon Dioxide; DeSimone, J., Tumas, W., Eds.; Oxford University Press: Oxford, 1999; pp in press.
10. da Rocha, S.R.P.; Johnston, K.P. Langmuir 2000, 16, 3690-3695.
11. da Rocha, S.R.P.; Harrison, K.L.; Johnston, K.P. Langmuir 1999, 15, 419-428.
12. Zielinsky, R.G.; Kline, S.R.; Kaler, E.W.; Rosov, N. Langmuir 1997, 13, 3934-3937.
13. Eastoe, J.; Cazelles, B.M.H.; Steytler, D.C.; Holmes, J.D.; Pitt, A.R.; Wear, J.T.; Heenan, R.K. Langmuir 1997, 13, 6980-6984.
14. Eastoe, J.; Bayazit, Z.; Martel, S.; Steytler, D.C.; Heenan, R.K. Langmuir 1996, 12, 1423-1424.
15. Freitas, A.A.; Quina, F.H.; Carrol, F.A. J. Phys. Chem. B 1997, 101, 7488-7493.
16. Conboy, J.C. Dissertation, University of Oregon, 1997.
17. Conboy, J.C.; Messmer, M.C.; Richmond, G.L. Langmuir 1998, 14, 6722-6727.
18. Miranda, P.B.; Pflumio, V.; Saijo, H.; Shen, Y.R. J. Am. Chem. Soc. 1998, 120, 12092-12099.
19. Miranda, P.B.; Shen, Y.R. J. Phys. Chem. B 1999, 103, 3292-3307.
20. Lee, L.T.; Langevin, D.; Mann, E.K.; Farnoux, B. Physica B 1994, 198, 83-8.
21. Linse, P. J. Chem. Phys. 1987, 86, 4177-4187.
22. Fernandes, P.A.; Cordeiro, M.N.D.S.; Gomes, J.A.N.F. J. Phys. Chem. B 1999, 103, 6290-6299.
23. Meyer, M.; Mareschal, M.; Hayoun, M. J. Chem. Phys. 1988, 89, 1067-1073.
24. van Buuren, A.R.; Marrink, S.-J.; Berendsen, H.J.C. J. Phys. Chem. 1993, 97, 9206-9212.
25. Dang, L.X. J. Chem. Phys. 1999, 110, 10113-10122.
26. Zhang, Y.; Feller, S.E.; Brooks, B.R.; Pastor, R.W. J. Chem. Phys. 1995, 103, 10252-10266.
27. Chang, T.-M.; Dang, L.X. J. Chem. Phys. 1996, 104, 6772-6783.
28. Toxvaerd, S.; Stecki, J. J. Chem. Phys. 1995, 102, 7163-7168.
29. Michael, D.; Benjamin, I. J. Phys. Chem. 1995, 99, 1530-1536.
30. Carpenter, I.L.; Hehre, W.J. J. Phys. Chem. 1990, 94, 531-536.
31. Benjamin, I. J. Chem. Phys. 1992, 97, 1432-1445.
32. Michael, D.; Benjamin, I. J. Phys. Chem. B 1998, 102, 5145-5151.
33. Michael, D.; Benjamin, I. J. Electroanal. Chem. 1998, 450, 335-345.
34. Schweighofer, K.J.; Benjamin, I. J. Electroanal. Chem. 1995, 391, 1-10.
35. Bocker, J.; Gurskii, Z.; Heinzinger, K. J. Phys. Chem. 1996, 100, 14969-14977.
36. Pohrille, A.; Wilson, M.A.; Chipot, C. Prog. Colloid Polym. sci. 1997, 103, 29-40.
37. Diaz-Herrera, E.; Alejandre, J.; Ramirez-Santiago, G.; Forstmann, F. J. Chem. Phys. 1999, 110, 8084-8089.
38. Napari, L; Laaksonen, A.; Talanquer, V.; Oxtoby, D.W. J. Chem. Phys. 1999, 110, 5906-5912.
39. Telo da Gama, M.M.; Gubbins, K.E. Mol. Phys. 1986, 59, 227-239.
40. Salaniwal, S.; Cui, S.T.; Cummings, P.T.; Cochran, H.D. Langmuir 1999, 15, 5188-5192.
41. Harris, J.; Young, K.H. J. Phys. Chem. 1995, 99, 12021-12024.
42. McHugh, M.A.; Krukonis, V.J. Supercritical Fluid Extraction: Priciples and Practice, 2nd ed.; Butterworth: Stonham, MA, 1994.
43. Wiebe, R.; Gaddy, V.L. J. Am. Chem. Soc. 1940, 62, 815-817.
44. Stewart, P.B.; Prem, M. J. Chem. Eng. Data 1970, 15, 67-71.
45. King, M.B.; Mubarak, A.; Kim, J.D.; Bott, R.T. J. Supercrit. Fluids 1992, 5, 296-302.
46. Tang, H.; Yamasaki, A.; Chun, M.-K.; Lee, H. J. Chem. Thermodyn. 1997, 29, 1301-1310.
47. Zawisza, A.; Malesinska, B. J. Chem. Eng. Data 1981, 26, 388-391.
48. Niemeyer, E.D.; Bright, F.V. J. Phys. Chem. B 1998, 102, 1474-1478.
49. Holmes, J.D.; Ziegler, K.J.; Audriani, M.; Lee, C.T., Jr.; Bhargava, P.A.; Steytler, D.C.; Johnston, K.P. J. Phys. Chem. B 1999, 103, 5703-5711.
50. Harrison, K. Dissertation, University of Texas at Austin, 1996.
51. Berendsen, H.J.C.; Straatsma, T.P. J. Phys. Chem. 1987, 91, 6269-6271.
52. Alejandre, J.; Tildesley, D.J.; Chapela, G.A. J. Chem. Phys. 1995, 102, 4574-4583.
53. Murthy, C.S.; O'Shea, S.F.; McDonald, I.R. Mol. Phys. 1983, 50, 531-541.
54. Vorholz, J.; Harismiadis, V.I.; Rumpf, B.; Panagiotopoulos, A.Z.; Maurer, G. Fluid Phase Equilib. 2000, 170, 203-234.
55. Motakabbir, K.A.; Berkowitz, M.L. Chem. Phys. Lett. 1991, 176, 61-66.
56. Wallqvist, A. Chem. Phys. Lett. 1990, 165, 437-442.
57. Refson, K. Comput. Phys. Commun. 2000, 126, 310-329.
58. Nishikawa, K.; Tanaka, I.; Amemiya, Y. J. Phys. Chem. 1996, 100, 418-421.
59. Cipriani, P.; Nardone, M.; Ricci, F.P. Physica B 1998, 241-243, 940-946.
60. Inc., M.S., 4.0 ed.; Molecular Simulations Inc.: 2000.
61. Croxton, C.A. Statistical Mechanics of the Liquid Surface; John Wiley & Sons: Chichester, 1980.
62. Buff, F.P.; Lovett, R.A.; Stillinger, F.H. Phys. Rev. Lett. 1965, 15, 621-623.
63. Panhuis, M.I.H.; Patterson, C.H.; Lynden-Bell, R.M. Mol. Phys. 1998, 94, 963-972.
64. Allen, M.P.; Tildesley, D.J. Computer Simulation of Liquids; Claredon Press: Oxford, 1987.
65. Lee, C.Y.; McCammon, J.A.; Rossky, P.J. J. Chem. Phys. 1984, 80, 4448-4455.
66. Lee, S.H.; Rossky, P.J. J. Chem. Phys. 1994, 100, 3334-3345.
67. Meredith, J.C.; Johnston, K.P. Langmuir 1999, 15, 8037-8044.
68. Schweighofer, K.J.; Xia, X.; Berkowitz, M.L. Langmuir 1996, 12, 3747-3752.
69. Gragson, D.E.; Richmond, G.L. J. Phys. Chem. B 1998, 102, 3847-3861.
70. Benjamin, I. Annu. Rev. Phys. Chem. 1997, 48, 407-451.
71. Peterson, K.I.; Klemperer, W. J. Chem. Phys. 1984, 80, 2439-2445.
72. Sadlej, J.; Makarewicz, J.; Chalasinski, J. J. Chem. Phys. 1998, 109, 3919-3927.
73. Chun, B.-S.; Wilkinson, G.T. Ind. Eng. Chem. Res. 1995, 34, 4371-4377.
74. Heurer, G. Ph.D. Thesis, The University of Texas at Austin, 1957.
75. Soper, A.K. Chem. Phys. 2000, 258, 121-137.
76. Dominguez, H.; Berkowitz, M.L. J. Phys. Chem. B 2000, 104, 5302-5308.
77. Dang, L.X.; Chang, T.-M. J. Chem. Phys. 1997, 106, 8149-8159.
78. Chang, T.-M.; Peterson, K.A.; Dang, L.X. J. Chem. Phys. 1995, 103, 7502-7513.
79. Benjamin, I. Acc. Chem. Res. 1995, 28, 233-239.
80. Johnston, K.P.; Lemert, R.M. In Encyclopedia of Chemical Processing and Design; McKetta, J.J., Ed.; Marcel Dekker: New York, 1996; pp 1-45.