Citation: LIU Bo, HUANG Shi-Ping, ZHU Ji-Qin, WANG Peng, TIAN Hui-Ping. Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide[J]. Acta Physico-Chimica Sinica, ;2011, 27(02): 289-294. doi: 10.3866/PKU.WHXB20110203 shu

Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide

1.
1. Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China

Received Date: 21 July 2010
Available Online: 17 December 2010
Fund Project: 国家自然科学基金(20876005, 21076007) (20876005, 21076007)国家重点基础研究发展规划项目(973) (2010CB732301)资助 (973) (2010CB732301)

The structural and thermodynamic properties of aqueous dimethyl sulfoxide (DMSO) at a mole fraction of 0.002 were investigated using referenced interaction site model theory at different temperatures. The results reveal that the water network structure is enhanced by the presence of DMSO. The increased fluctuation in the potential of mean force suggests that the water-induced force is repulsive. In addition, the increased entropy of solvation and free energy of solvation imply that the randomness of the solution increases with an increase in temperature. The increased interaction energy and excess chemical potential reveal that the solution deviates from an ideal solution. Furthermore, the increased cavity reorganization energy shows that the system structure reorganizes easily at high temperature.
- Referenced interaction site model,
- Dimethyl sulfoxide,
- Microcosmic structure,
- Thermodynamic property
1. [1]
  
  (1) Martin, D.; Hauthal, H. G. Dimethyl Sulfoxide;Wiley: 1975 New York.
2. [2]
  (2) Jacobs, S.W.; Rosenbaum, E. E.;Wood, D. C. Dimethyl Sulfoxide; Marcel Dekker: New York, 1971.
3. [3]
  (3) Luzar, A.; Chandler, D. J. Chem. Phys. 1993, 98, 8160.
4. [4]
  (4) Soper, A. K.; Luzar, A. J. Chem. Phys. 1992, 97, 1320.
5. [5]
  (5) Luzar, A.; Soper, A. K.; Chandler, D. J. Chem. Phys. 1993, 99, 836.
6. [6]
  (6) Soper, A. K.; Luzar, A. J. Chem. Phys. 1996, 100, 1357.
7. [7]
  (7) Cabral, J. T.; Luzar, A.; Teixeira, J.; Bellissent-Funel, M. C. J. Chem. Phys. 2000, 113, 8736.
8. [8]
  (8) Madi sky,W. M.;Warfield, R.W. J. Chem. Phys. 1983, 78, 912.
9. [9]
  (9) Fuchs, R.; Cray, G. E. M.; Bloomfield, J. J. J. Am. Chem. Soc. 1961, 83, 4281.
10. [10]
  (10) Ludwig, R.; Farrar, T. C.; Zeidler, M. D. J. Phys. Chem. 1994, 8, 6684.
11. [11]
  (11) Shashkov, S. N.; Kiselev, M. A.; Tioutiounnikov, S.N.; Kiselev, A. M.; Lesieur, P. Physica B 1999, 271, 184.
12. [12]
  (12) Chalaris, M.; Samios, J. J. Mol. Liq. 2002, 98-99, 399.
13. [13]
  (13) Kirchner, B.; Hutter, J. J. Chem. Phys. Lett. 2002, 364, 497.
14. [14]
  (14) Rao, B. G.; Singh, U. C. J. Am. Chem. Soc. 1990, 112, 3803.
15. [15]
  (15) Vaisman, I. I.; Berkowitz, M. L. J. Am. Chem. Soc. 1992, 114, 889.
16. [16]
  (16) Borin, I. A.; Skaf, M. S. J. Chem. Phys. 1999, 110, 6412.
17. [17]
  (17) Vishnayakov, A.; Lyubartsev, A. P.; Laaksonen, A. J. Phys. Chem. A 2001, 105, 1702.
18. [18]
  (18) Mancera, R. L.; Chalaris, M. ; Refson, K.; Samios, J. Phys. Chem. Chem. Phys. 2004, 6, 94.
19. [19]
  (19) Mancera, R. L.; Chalaris, M.; Samios, J. J. Mol. Liq. 2004, 110, 47.
20. [20]
  (20) Zhang, Q.; Zhang, X.; Zhao, D. X. J. Mol. Liq. 2009, 145, 67.
21. [21]
  (21) Li, Y. G.; Lu, J. F. Electrolyte Solution Theory; Tsinghua niversity Press: Beijing, 2005.
22. [22]
  [李以圭, 陆九芳. 电解质溶液论. 北京: 清华大学出版社, 2005.]
23. [23]
  (22) Mitsutake, A.; Kinoshita, M.; Okamoto, Y.; Hirata, F. Chem. Phys. Lett. 2000, 329, 295.
24. [24]
  (23) Yoshida, K.; Yamaguchi, T.; Kovalenko, A.; Hirata, F. J. Phys. Chem. B 2002, 106, 5042.
25. [25]
  (24) Sato, H.; Hirata, F. J. Phys. Chem. A 2002, 106, 2300.
26. [26]
  (25) Imai, T.; Kovalenko, A.; Hirata, F. Chem. Phys. Lett. 2004, 395, .
27. [27]
  (26) Minezawa, N.; Kato, A. J. Phys. Chem. A 2005, 109, 5445.
28. [28]
  (27) Freedman, H.; Le, L.; Tuszynski, J. A.; Truong, T. N. J. Phys. Chem. B 2008, 112, 2340.
29. [29]
  (28) Hayaki, S.; Sato, H.; Sakaki, S. J. Mol. Liq. 2009, 147, 9.
30. [30]
  (29) Vchirawongkwin, V.; Sato, H.; Sakaki, S. J. Phys. Chem. B 2010, 114, 10513.
31. [31]
  (30) Chandler, D.; Andersen, H. C. J. Chem. Phys. 1972, 57, 1930.
32. [32]
  (31) Chandler, D. J. Chem. Phys. 1973, 59, 2749.
33. [33]
  (32) Hirata, F.; Pettit, M.; Rossky, P. J. J. Chem. Phys. 1982, 77, 509.
34. [34]
  (33) Hirata, F. Bull. Chem. Soc. Jpn. 1998, 71, 1483.
35. [35]
  (34) Perkyns, J. S.; Pettitt, B. M. J. Chem. Phys. 1992, 97, 7656.
36. [36]
  (35) Kovalenko, A.; Hirata, F. J. Chem. Phys. 1999, 110, 10095.
37. [37]
  (36) Kovalenko, A.; Hirata, F. Chem. Phys. Lett. 2001, 349, 496.
38. [38]
  (37) Tanaka, H.;Walsh, J.; Gubbins, K. E. Mol. Phys. 1992, 76, 1221.
39. [39]
  (38) Chandler, D.; McCoy, J. D.; Singer, S. J. J. Chem. Phys. 1986, 8, 5971.
40. [40]
  (39) Chandler, D.; McCoy, J. D.; Singer, S. J. J. Chem. Phys. 1986, 8, 5977.
41. [41]
  (40) Zhou, S. Q.; Zhang, X. P. Phys. Rev. E 2001, 64, 011112.
42. [42]
  (41) Zhou, S. Q. Chem. Phys. 2005, 310, 129.
43. [43]
  (42) Zhou, S. Q. J. Colloid Interface Sci. 2006, 298, 31.
44. [44]
  (43) Zhou, S. Q. Phys. Rev. E 2006, 74, 011402.
45. [45]
  (44) Yu, H. A.; Roux, B.; Karplus, M. J. Chem. Phys. 1990, 92, 5020.
46. [46]
  (45) Geerke, D. P.; Oostenbrink, C.; van der Vegt, N. F. A.; van unsteren,W. F. J. Phys.Chem. B 2004, 108, 1436.
47. [47]
  (46) Berendsen, J. C.; Crigera, J. R. Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
48. [48]
  (47) Rossky, P. J. Annu. Rev. Phys. Chem. 1985, 36, 321.
49. [49]
  (48) Lar , J.; Solana, J. R. Fluid Phase Equilib. 2002, 193, 277.
50. [50]
  (49) Zhou, S. Q. Chem. Phys. Lett. 2004, 399, 315.
51. [51]
  (50) Zhou, S. Q. Chem. Phys. Lett. 2004, 399, 323.
52. [52]
  (51) Zhou, S. Q. Chem. Phys. Lett., 2004, 392, 110.
53. [53]
  (52) Zhou, S. Q. Chin. J. Chem. Phys. 2005, 18, 679.
54. [54]
  [周世琦. 化学理学报, 2005, 18, 679.]
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