Mixtures of protic ionic liquids and molecular cosolvents: A molecular dynamics simulation

Journal of Chemical Physics

Volumn 140, Issue 21, 2014, Pages

  Docampo Álvarez, Borja ^a   Gómez González, Víctor ^a   Méndez Morales, Trinidad ^a   Carrete, Jesús ^a,b   Rodríguez, Julio R ^a   Cabeza, Óscar ^c   Gallego, Luis J ^a   Varela, Luis M ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b CEA GRENOBLE   (France)

^c UNIVERSITY OF A CORUÑA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MIXTURES; MOLECULAR DYNAMICS; NEGATIVE IONS; SPATIAL DISTRIBUTION;

CLASSICAL MOLECULAR DYNAMICS; CONCENTRATION RANGES; COORDINATION NUMBER; COSOLVENT MOLECULES; FIRST HYDRATION SHELL; MOLECULAR DYNAMICS SIMULATIONS; PROTIC IONIC LIQUIDS; VELOCITY AUTOCORRELATION FUNCTIONS;

IONIC LIQUIDS;

EID: 84902495779     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4879660     Document Type: Article

References (72)

1. M. Armand, F. Endres, D. R. MacFarlane, H. Ohno, and B. Scrosati, Nat. Mater. 8, 621 (2009).
2. N. V. Plechkova and K. R. Seddon, Chem. Soc. Rev. 37, 123 (2008).
3. H. Zhao and S. V. Malhotra, Aldrichim. Acta 35, 75 (2002).
4. R. D. Rogers and K. R. Seddon, Ionic Liquids: Industrial Applications for Green Chemistry (American Chemical Society, 2002).
5. S. Zhang, N. Sun, X. He, X. Lu, and X. Zhang, J. Phys. Chem. Ref. Data 35, 1475 (2006).
6. M. Freemantle, An Introduction to Ionic Liquids (RSC Publishing, 2009).
7. P. Wasserscheid and T. Welton, Ionic Liquids in Synthesis (Wiley Online Library, 2003).
8. S. Zhang, X. Lu, Q. Zhou, X. Li, X. Zhang, and S. Li, Ionic Liquids: Physicochemical Properties (Elsevier, 2009).
9. T. L. Greaves and C. J. Drummond, Chem. Rev. 108, 206 (2008).
10. W. X. M. Yoshizawa and C. A. Angell, J. Am. Chem. Soc. 125, 15411 (2003).
11. C. A. Angell, N. Byrne, and J.-P. Belieres, Acc. Chem. Res. 40, 1228 (2007).
12. T. L. Greaves, A.Weerawardena, C. Fong, I. Krodkiewska, and C. J. Drummond, J. Phys. Chem. B 110, 22479 (2006).
13. H. Nakamoto and M. Watanabe, Chem. Commun. 2007, 2539.
14. M. A. B. H. Susan, A. Noda, S. Mitsushima, and M. Watanabe, Chem. Commun. 2003, 938.
15. L. Timperman, P. Skowron, A. Boisset, H. Galiano, D. Lemordant, E. Frackowiak, F. Beguinb, and M. Anouti, Phys. Chem. Chem. Phys. 14, 8199 (2012).
16. M. Anouti and L. Timperman, Phys. Chem. Chem. Phys. 15, 6539 (2013).
17. S. Menne, J. Pires, M. Anouti, and A. Balducci, Electrochem. Commun. 31, 39 (2013).
18. P. Walden, Bull. Russian Acad. Sci. 1800, 405 (1914).
19. V. H. Alvarez, N. Dosil, R. Gonzalez-Cabaleiro, S. Mattedi, M. Martin- Pastor, M. Iglesias, and J. M. Navaza, J. Chem. Eng. Data 55, 625 (2010).
20. B. Fernández-Castro, T. Méndez-Morales, J. Carrete, E. Fazer, O. Cabeza, J. R. Rodrguez, M. Turmine, and L. M. Varela, J. Phys. Chem. B 115, 8145 (2011).
21. S. Bouzón-Capelo, T. Méndez-Morales, J. Carrete, E. L. Lago, J. Vila, O. Cabeza, J. R. Rodrguez, M. Turmine, and L. M. Varela, J. Phys. Chem. B 116, 11302 (2012).
22. R. Atkin and G. G. Warr, J. Phys. Chem. B 112, 4164 (2008).
23. R. Atkin, S. M. C. Bobillier, and G. G. Warr, J. Phys. Chem. B 114, 1350 (2010).
24. R. Hayes, S. Imberti, G. G. Warr, and R. Atkin, Phys. Chem. Chem. Phys. 13, 13544 (2011).
25. J. Hunger, T. Sonnleitner, L. Liu, R. Buchner, M. Bonn, and H. J. Bakker, J. Phys. Chem. Lett. 3, 3034 (2012).
26. R. Hayes, S. Imberti, G. G. Warr, and R. Atkin, Phys. Chem. Chem. Phys. 13, 3237 (2011).
27. D. F. Kennedy and C. J. Drummond, J. Phys. Chem. B 113, 5690 (2009).
28. P. Niga, D. Wakeham, A. Nelson, G. G. Warr, M. Rutland, and R. Atkin, Langmuir 26, 8282 (2010).
29. X. C. X. Wang, Q. Li, and Z. Li, Langmuir 28, 16547 (2012).
30. C. Zhao, G. Burrell, A. A. J. Torriero, F. Separovic, N. F. Dunlop, D. R. MacFarlane, and A. M. Bond, J. Phys. Chem. B 112, 6923 (2008).
31. T. L. Greaves, A. Weerawardena, I. Krodkiewska, and C. J. Drummond, J. Phys. Chem. B 112, 896 (2008).
32. T. L. Greaves, A. Weerawardena, C. Fong, and C. J. Drummond, J. Phys. Chem. B 111, 4082 (2007).
33. E. Bodo, P. Postorino, S. Mangialardo, G. Piacente, F. Ramondo, F. Bosi, P. Ballirano, and R. Caminiti, J. Phys. Chem. B 115, 13149 (2011).
34. H. Markusson, J.-P. Belieres, P. Johansson, C. A. Angell, and P. Jacobsson, J. Phys. Chem. A 111, 8717 (2007).
35. E. Bodo, S. Mangialardo, F. Ramondo, F. Ceccacci, and P. Postorino, J. Phys. Chem. B 116, 13878 (2012).
36. X. Song, H. Hamano, B. Minofar, R. Kanzaki, K. Fujii, Y. Kameda, S. Kohara, M. Watanabe, S. Ishiguro, and Y. Umebayashi, J. Phys. Chem. B 116, 2801 (2012).
37. Y. Umebayashi,W.-L. Chung, T. Mitsugi, S. Fukuda,M. Takeuchi, K. Fujii, T. Takamuku, R. Kanzaki, and S. Ishiguro, J. Comput. Chem. Jpn. 7, 125 (2008).
38. S. Zahn, J. Thar, and B. Kirchner, J. Chem. Phys. 132, 124506 (2010).
39. K. Marsh, J. Boxall, and R. Lichtenthaler, Fluid Phase Equilib. 219, 93 (2004).
40. A. W. K. Fumino and R. Ludwig, Angew. Chem. Int. Ed. 48, 3184 (2009).
41. A. Luzar and D. Chandler, Phys. Rev. Lett. 76, 928 (1996).
42. F. H. Stillinger, Science 209, 451 (1980).
43. L. Saiz, J. A. Padro, and E. Guardia, J. Phys. Chem. B 101, 78 (1997).
44. M. Haughney, M. Ferrario, and I. R. McDonald, J. Phys. Chem. 91, 4934 (1987).
45. T. Yamaguchi, H. Hidaka, and A. K. Soper, Mol. Phys. 96, 1159 (1999).
46. M. Matsumoto and K. E. Gubbins, J. Chem. Phys. 93, 1981 (1990).
47. M. Allen, D. F. Evans, and R. Lumry, J. Sol. Chem. 14, 549 (1985).
48. T. J. V. Findlay and M. C. R. Symons, J. Chem. Soc., Faraday Trans. 2 72, 820 (1976).
49. R. G. Horn, D. F. Evans, and B. W. Ninham, J. Phys. Chem. 92, 3531 (1988).
50. I. B. Malham, P. Letellier, A. Mayaffre, and M. Turmine, J. Chem. Thermodyn. 39, 1132 (2007).
51. S. Bouguerra, I. B. Malham, P. Letelliera, and M. T. A. Mayaffre, J. Chem. Thermodyn. 40, 146 (2008).
52. T. Heimburg, S. Z. Mirzaev, and U. Kaatze, Phys. Rev. E 62, 4963 (2000).
53. A. Chagnes, A. Tougui, B. Carre, N. Ranganathan, and D. Lemordant, J. Sol. Chem. 33, 247 (2004).
54. T. L. Greaves, D. F. Kennedy, A. Weerawardena, N. M. K. Tse, N. Kirby, and C. J. Drummond, J. Phys. Chem. B 115, 2055 (2011).
55. T. L. Greaves, D. F. Kennedy, N. Kirbyb, and C. J. Drummond, Phys. Chem. Chem. Phys. 13, 13501 (2011).
56. R. Hayes, S. Imberti, G. G. Warr, and R. Atkin, Angew. Chem. Int. Ed. 51, 7468 (2012).
57. D. V. D. Spoel, E. Lindahl, B. Hess, A. R. V. Buuren, E. Apol, P. J. Meulenhoff, D. P. Tieleman, A. L. T. M. Sijbers, K. A. Feenstra, R. V. Drunen, and H. J. C. Berendsen, Gromacs User Manual Version 4.0, see http://www.Gromacs.org, 2005.
58. S. V. Sambasivarao and O. Acevedo, J. Chem. Theory Comput. 5, 1038 (2009).
59. M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. 112, 8910 (2000).
60. W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996).
61. T. Méndez-Morales, J. Carrete, S. Bouzón-Capelo, M. Pérez-Rodrguez, O. Cabeza, L. J. Gallego, and L. M. Varela, J. Phys. Chem. B 117, 3207 (2013).
62. S. Feng and G. A. Voth, Fluid Phase Equilib. 294, 148 (2010).
63. G. Raabe and J. Köhler, J. Chem. Phys. 129, 144503 (2008).
64. J. N. Canongia-Lopes and A. A. H. Pádua, J. Phys. Chem. B 110, 3330 (2006).
65. W. Jiang, Y. Wang, and G. A. Voth, J. Phys. Chem. B 111, 4812 (2007).
66. T. Méndez-Morales, J. Carrete, O. Cabeza, L. J. Gallego, and L. M. Varela, J. Phys. Chem. B 115, 6995 (2011).
67. T. Méndez-Morales, J. Carrete, O. Cabeza, L. J. Gallego, and L. M. Varela, J. Phys. Chem. B 115, 11170 (2011).
68. J. N. Canongia-Lopes, M. F. Costa-Gomes, and A. A. H. Pádua, J. Phys. Chem. B 110, 16816 (2006).
69. J. H. Guo, Y. Luo, A. Augustsson, J. Rubensson, C. Sthe, H. gren, H. Siegbahn, and J. Nordgren, Phys. Rev. Lett. 89, 137402 (2002).
70. I. Harsnyi, L. Pusztai, J. C. Soetens, and P. A. Bopp, J. Mol. Liq. 129, 80 (2006).
71. M. Sokol, A. Dawid, Z. Dendzik, and Z. Gburski, J. Mol. Struct. 704, 341 (2004).
72. T. Méndez-Morales, J. Carrete, M. Garca, O. Cabeza, L. J. Gallego, and L. M. Varela, J. Phys. Chem. B 115, 15313 (2011).