Molecular dynamics studies of fluid/oil interfaces for improved oil recovery processes

Journal of Physical Chemistry B

Volumn 116, Issue 50, 2012, Pages 14667-14676

  De Lara, Lucas S ^a   Michelon, Mateus F ^a   Miranda, Caetano R ^a  

^a UNIVERSIDADE FEDERAL DO ABC   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC MOLECULES; ATOMISTIC MOLECULAR DYNAMICS; IMPROVED OIL RECOVERY; INTERFACE REGIONS; INTERFACIAL DENSITY; MOLECULAR ORDERING; OIL DISPLACEMENT; OIL PHASE; ORIENTATION PROPERTIES; PRESSURE AND TEMPERATURE; SALT CONCENTRATION;

CARBON DIOXIDE; CRUDE OIL; HYDROCARBONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULES; PETROLEUM RESERVOIRS; PRESSURE EFFECTS; SODIUM CHLORIDE;

DIFFUSION IN LIQUIDS;

EID: 84871560378     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp310172j     Document Type: Article

References (53)

1. Petersen, K. S.; Christensen, P. L. Phase Behavior of Petroleum Reservoir Fluids, CRC Press, Boca Raton, FL, 2007, pp 81-112.
2. Navrotsky, A. Nat. Mater. 2003, 2, 571-572
3. Biben, T.; Joly, L. Phys. Rev. Lett. 2008, 100, 186103-186106
4. Buckley, J. S.; Fan, T. Petrophysics 2007, 48, 175-185
5. Benjamin, I. Annu. Rev. Phys. Chem. 1997, 48, 407-451
6. Jungwirth, P.; Finlayson-Pitts, B. J.; Tobias, D. J. Chem. Rev. 2006, 106, 1137-1139
7. Chandler, D. Nature 2007, 445, 831-832
8. Hore, D. K.; Walker, D. S.; Richmond, G. L. J. Am. Chem. Soc. 2008, 130, 1800-1801
9. Bonn, D.; Eggers, J.; Indekeu, J.; Meunier, J.; Rolley, E. Rev. Mod. Phys. 2009, 81, 739-805
10. Mitrinovic, D. M.; Tikhonov, A. M.; Li, M.; Huang, Z.; Schlossman, M. L. Phys. Rev. Lett. 2000, 85, 582-585
11. Du, Q.; Freysz, E.; Shen, Y. R. Science 1994, 264, 826-828
12. Scatena, L. F.; Brown, M. G.; Richmond, G. L. Science 2001, 292, 908-912
13. De Serio, M.; Mohapatra, H.; Zenobi, R.; Deckert, V. Chem. Phys. Lett. 2006, 417, 452-456
14. Nomoto, T.; Onishi, H. Phys. Chem. Chem. Phys. 2007, 9, 5515-5521
15. Lambert, J.; Hergenröder, R.; Suter, D.; Deckert, V. Angew. Chem., Int. Ed. 2009, 48, 6343-6345
16. Trivedi, J. J.; Babadagli, T. SPE117607; SPE Eastern Regional/AAPG Eastern Section Joint Meeting, 11-15 October 2008, Pittsburgh, Pennsylvania; Society of Petroleum Engineers: Allen, TX
17. Godec, M.; Kuuskraa, V.; Van Leeuwen, V.; Melzer, L. S.; Wildgust, N. Energy Procedia 2011, 4, 2162-2169
18. Farajzadeh, R.; Andrianov, A.; Zitha, P. L. J. Ind. Eng. Chem. Res. 2010, 49, 1910-1919
19. Alejandre, J.; Chapela, G. A.; Bresme, F.; Hansen, J.-P. J. Chem. Phys. 2009, 130, 174505-174514
20. Nieto-Draghi, C.; de Bruin, T.; Perez-Pellitero, J.; Avalos, J. B.; Mackie, A. D. J. Chem. Phys. 2007, 126, 064509-064516
21. Sokhan, V. P.; Nicholson, D. J. Chem. Phys. 2004, 120, 3855-3864
22. Brooks, B. R. J. Comput. Chem. 2009, 30, 1545-1615
23. Jang, S. S.; Lin, S.-T.; Maiti, P. K.; Blanco, M.; Goddard, W. A. J.; Shuler, P.; Tang, Y. J. Phys. Chem. B 2004, 108, 12130-12140
24. Hockney, R. W.; Eastwood, J. W. Computer Simulation Using Particles; Adam Hilger, Philadelphia, 1989.
25. Thompson, A. P.; Plimpton, S. J.; Mattson, W. J. Chem. Phys. 2009, 131, 154107-154112
26. Ghoufi, A.; Goujon, F.; Lachet, V.; Malfreyt, P. J. Chem. Phys. 2008, 128, 154716-154731
27. Plimpton, S. J. J. Comput. Phys. 1995, 117, 1-19
28. Gurkov, T. D.; Dimitrova, D. T.; Marinova, K. G.; Bilke-Crause, C.; Gerber, C.; Ivanov, I. B. Colloids Surf., A 2005, 261, 29-38
29. Chattoraj, D. K.; Birdi, K. S. Adsorption and the Gibbs Surface Excess; Plenum Publishing Company: New York, 1984.
30. Talu, O.; Myers, A. L. AIChE J. 2001, 47, 1160-1168
31. Ueno, M.; Mitsui, R.; Iwahashi, H.; Tsuchihashi, N.; Ibuki, K. J. Phys.: Conf. Ser. 2010, 215, 012074
32. Kunieda, M.; Nakaoka, K.; Liang, Y.; Miranda, C. R.; Ueda, A.; Takahashi, S.; Okabe, H.; Matsuoka, T. J. Am. Chem. Soc. 2010, 132, 18281-18286
33. Fernandes, P. A.; Cordeiro, N. D. S.; Gomes, J. A. N. F. J. Phys. Chem. B 1999, 103, 6290-6299
34. Jedlovszky, P.; Varga, I.; Gilányi, T. J. Chem. Phys. 2003, 119, 1731-1740
35. Franks, H. S.; Evans, M. J. Chem. Phys. 1945, 13, 507-532
36. Dang, L. X.; Feller, D. J. Phys. Chem. B 2000, 104, 4403-4407
37. Eley, D. D. Trans. Faraday Soc. 1939, 35, 1281-1293
38. Massoudi, R.; King, A. D. J. Chem. Phys. 1975, 79, 1676-1679
39. Chiang, M. Y.; Chan, K. S.; Shah, D. O. J. Can. Pet. Technol. 1978, 17, 4-9
40. Fall, A.; Rimstidt, J. D.; Bodnar, R. J. Am. Mineral. 2009, 94, 1569-1579
41. Al-Sahhaf, T.; Elkamel, A.; Suttar Ahmed, A.; Khan, A. R. Chem. Eng. Commun. 2005, 192, 667-684
42. Miqueu, C.; Mendiboure, B.; Gracia, C.; Lachaise, J. Fluid Phase Equilib. 2004, 218, 189-203
43. Sahimi, M.; Taylor, B. N. J. Chem. Phys. 1991, 95, 6749-6761
44. Yang, D.; Gu, Y. Pet. Sci. Technol. 2005, 23 (9-10) 1099-1112
45. Huygens, R. J. M.; Ronde, H.; Hagoort, J. SPE J. 1993, SPE26643
46. Amin, R.; Smith, T. N. Fluid Phase Equilib. 1998, 142, 231-241
47. Peng, B.-Z.; Sun, C.-Y.; Liu, B.; Zhang, Q.; Chen, J.; Li, W.-Z.; Chen, G.-J. J. Chem. Eng. Data 2011, 56, 4623-4626
48. Lara, L. S.; Michelon, M. F.; Metin, C. O.; Nguyen, Q. P.; Miranda, C. R. unpublished results.
49. Tharanivasan, A. K.; Yang, C.; Gu, Y. Energy Fuels 2006, 20, 2509-2517
50. Dysthe, D. K.; Fuchs, A. H.; Rousseau, B. Int. J. Thermophys. 1998, 19, 437-448
51. Zabala, D.; Nieto-Draghi, C.; Hemptinne, J. C.; Ramos, A. L. L. J. Phys. Chem. B 2008, 112 (51) 16610-16618
52. Riazi, M. R.; Whitson, C. H. Ind. Eng. Chem. Res. 1993, 32, 3081-3088
53. Jamialahmadi, M.; Emadi, M.; Müller-Steinhagen, H. J. Pet. Sci. Eng. 2006, 53, 47-60