Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model

Journal of Chemical Theory and Computation

Volumn 7, Issue 6, 2011, Pages 1893-1901

  Huang, Shao Nung ^a   Pascal, Tod A ^b,c   Goddard, William A ^b,c   Maiti, Prabal K ^d   Lin, Shiang Tai ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^d INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79959209257     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct200211b     Document Type: Article

References (50)

1. Penninger, J. M. L. Supercritical fluid technology; Elsevier Science: Amsterdam, 1985.
2. Roberts, C. B.; Chateauneuf, J. E.; Brennecke, J. F. J. Am. Chem. Soc. 1992, 114, 8455-8463
3. Lee, C. T.; Ryoo, W.; Smith, P. G.; Arellano, J.; Mitchell, D. R.; Lagow, R. J.; Webber, S. E.; Johnston, K. P. J. Am. Chem. Soc. 2003, 125, 3181-3189
4. Schievelbein, V. H. Method for decreasing mobility of dense carbon dioxide in subterranean formations; Texaco Inc.: White Plains, NY, 1991.
5. Leitner, W.; Poliakoff, M. Green Chem. 2008, 10, 730-730
6. Beckman, E. J. J. Supercrit. Fluid 2004, 28, 121-191
7. Baiker, A. Chem. Rev. 1999, 99, 453-473
8. Jung, J. W.; Espinoza, D. N.; Santamarina, J. C. J. Geophys. Res., Solid Earth 2010, 115, B10102
9. Zhou, X. T.; Fan, S. S.; Liang, D. Q.; Du, J. W. Energy Convers. Manage. 2008, 49, 2124-2129
10. Yezdimer, E. M.; Cummings, P. T.; Chialvo, A. A. J. Phys. Chem. A 2002, 106, 7982-7987
11. Merker, T.; Engin, C.; Vrabec, J.; Hasse, H. J. Chem. Phys. 2010, 132
12. Vrabec, J.; Stoll, J.; Hasse, H. J. Phys. Chem. B 2001, 105, 12126-12133
13. Potoff, J. J.; Siepmann, J. I. AIChE J. 2001, 47, 1676-1682
14. Harris, J. G.; Yung, K. H. J. Phys. Chem. 1995, 99, 12021-12024
15. Zhu, A. M.; Zhang, X. B.; Liu, Q. L.; Zhang, Q. G. Chin. J. Chem. Eng. 2009, 17, 268-272
16. Zhang, Z. G.; Duan, Z. H. J. Chem. Phys. 2005, 122
17. Nieto-Draghi, C.; de Bruin, T.; Perez-Pellitero, J.; Avalos, J. B.; Mackie, A. D. J. Chem. Phys. 2007, 126, 8
18. Galliero, G.; Nieto-Draghi, C.; Boned, C.; Avalos, J. B.; Mackie, A. D.; Baylaucq, A.; Montel, F. Ind. Eng. Chem. Res. 2007, 46, 5238-5244
19. Saharay, M.; Balasubramanian, S. J. Chem. Phys. 2004, 120, 9694-9702
20. Zhang, Y.; Yang, J. C.; Yu, Y. X. J. Phys. Chem. B 2005, 109, 13375-13382
21. Anderson, K. E.; Mielke, S. L.; Siepmann, J. I.; Truhlar, D. G. J. Phys. Chem. A 2009, 113, 2053-2059
22. Inomata, H.; Saito, S.; Debenedetti, P. G. Fluid Phase Equilib. 1996, 116, 282-288
23. Murthy, C. S.; Singer, K.; McDonald, I. R. Mol. Phys. 1981, 44, 135-143
24. Graham, C.; Pierrus, J.; Raab, R. E. Mol. Phys. 1989, 67, 939-955
25. Sharma, R.; Agarwal, M.; Chakravarty, C. Mol. Phys. 2008, 106, 1925-1938
26. Henchman, R. H. J. Chem. Phys. 2007, 126
27. Wang, L.; Abel, R.; Friesner, R. A.; Berne, B. J. J. Chem. Theory Comput. 2009, 5, 1462-1473
28. Irudayam, S. J.; Plumb, R. D.; Henchman, R. H. Faraday Discuss. 2010, 145, 467-485
29. Shirts, M. R.; Pande, V. S. J. Chem. Phys. 2005, 122
30. Garrido, N. M.; Jorge, M.; Queimada, A. J.; Economou, I. G.; Macedo, E. A. Fluid Phase Equilib. 2010, 289, 148-155
31. Scala, A.; Starr, F. W.; La Nave, E.; Sciortino, F.; Stanley, H. E. Nature 2000, 406, 166-169
32. Lin, S. T.; Blanco, M.; Goddard, W. A. J. Chem. Phys. 2003, 119, 11792-11805
33. Lin, S. T.; Maiti, P. K.; Goddard, W. A. J. Phys. Chem. B 2010, 114, 8191-8198
34. Pascal, T. A.; Lin, S. T.; Goddard, W. A. Phys. Chem. Chem. Phys. 2010, 13, 169-181
35. Lin, S. T.; Maiti, P. K.; Goddard, W. A. J. Phys. Chem. B 2005, 109, 8663-8672
36. Debnath, A.; Mukherjee, B.; Ayappa, K. G.; Maiti, P. K.; Lin, S. T. J. Chem. Phys. 2010, 133
37. Kumar, H.; Mukherjee, B.; Lin, S.-T.; Dasgupta, C.; Sood, A. K.; Maiti, P. K. J. Chem. Phys. 2011, 134, 124105
38. Maiti, P. K.; Bagchi, B. Nano Lett. 2006, 6, 2478-2485
39. Nandy, B.; Maiti, P. K. J. Phys. Chem. B 2011, 115, 217-230
40. Vasumathi, V.; Maiti, P. K. Macromolecules 2010, 43, 8264-8274
41. Berens, P. H.; Mackay, D. H. J.; White, G. M.; Wilson, K. R. J. Chem. Phys. 1983, 79, 2375-2389
42. Carnahan, N. F.; Starling, K. E. J. Chem. Phys. 1970, 53, 600-603
43. Plimpton, S. J. Comput. Phys. 1995, 117, 1-19
44. Perry, R. H.; Green, D. W.; Maloney, J. O. Perrys Chemical Engineers Handbook, 7 th ed.; McGraw-Hill: New York, 1997.
45. NIST Chemistry WebBook, Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD, 2000. http://webbook.nist.gov/ chemistry/ (accessed May 2011).
46. Hoover, W. G. Phys. Rev. A 1985, 31, 1695-1697
47. Hockney, R. W.; Eastwood, J. W. Computer Simulation Using Particles; Taylor & Francis: New York, 1989.
48. Karasawa, N.; Goddard, W. A. J. Phys. Chem. 1989, 93, 7320-7327
49. Arakawa, M.; Yamamoto, J.; Kagi, H. Chem. Lett. 2008, 37, 280-281
50. Olijnyk, H.; Jephcoat, A. P. Physica B 1999, 265, 54-59