Collect. Czech. Chem. Commun.
2010, 75, 333-348
https://doi.org/10.1135/cccc2009518
Published online 2010-03-15 09:26:35
Molecular dynamics simulations of aqueous solutions of ionic liquids
Karel Matas* and Jiří Kolafa
Department of Physical Chemistry, Institute of Chemical Technology, Prague, 166 28 Prague 6, Czech Republic
References
1. Angew. Chem. Int. Ed. 2008, 47, 654.
< H.: https://doi.org/10.1002/anie.200604951>
2. Nature 2000, 407, 938.
< D.: https://doi.org/10.1038/35039717>
3. Pure Appl. Chem. 1988, 60, 1763.
< C. L.: https://doi.org/10.1351/pac198860121763>
4. Kinet. Catal. (Transl. of Kinet. Katal.) 1996, 37, 693.
K. R.:
5. J. Phys. Chem. C 2007, 111, 7682.
< C. S., Rivera-Rubero S., Dibrov S., Baldelli S.: https://doi.org/10.1021/jp0652751>
6. J. Phys. Chem. C 2008, 112, 11459.
< C. S., Baldelli S.: https://doi.org/10.1021/jp803177w>
7. Chem. Phys. Lett. 2005, 406, 495.
< J., Jeon Y., Kim D., Iwahashi T., Iomori T., Seki K., Youchi Y.: https://doi.org/10.1016/j.cplett.2005.03.036>
8. J. Am. Chem. Soc. 2005, 127, 7796.
< E., Ocko B. M., Tamam L., Kuzmenko I., Gog T., Deutsch M.: https://doi.org/10.1021/ja0509679>
9. Langmuir 2004, 20, 2191.
< J., Butts C. P., Martin P. J., Vergara-Gutierrez M. C.: https://doi.org/10.1021/la035940m>
10. Phys. Chem. Chem. Phys. 2001, 3, 2879.
< G., Watson P. R., Carmichael A. J., Seddon K. R., Seddon B.: https://doi.org/10.1039/b101952j>
11. Chem. Phys. Lett. 2001, 1, 345.
P. R., Law G.:
12. Langmuir 1999, 15, 8429.
< T. J., Law G., Watson P. R.: https://doi.org/10.1021/la990589j>
13. Langmuir 2006, 22, 9386.
< E. F., Rutten F. J. M., Villar-Garcia I. J., Briggs D., Licence P.: https://doi.org/10.1021/la061248q>
14. J. Phys. Chem. B 2006, 110, 15499.
< S., Baldelli S.: https://doi.org/10.1021/jp062694p>
15. Phys. Chem. Chem. Phys. 2001, 2, 5192.
T., Cammarata L., Kazarian S. G., Salter P. A.:
16. Phys. Chem. Chem. Phys. 2008, 10, 5765.
< J., Minofar B., Kolafa J., Jungwirth P.: https://doi.org/10.1039/b806205f>
17. http//www.vscht.cz/fch/software/macsimus/index.html.
18. Allen M. P., Tildesley D. J.: Computer Simulations of Liquids. Oxford University Press, Oxford 1987.
19. J. Phys. Chem. B 2004, 108, 12978.
< Z., Huang S., Wang W.: https://doi.org/10.1021/jp048369o>
20. Chem. Phys. 2005, 123, 234505.
J. L. F., Vega C. J.:
21. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Montgomery J. A., Vreven T., Kudin K. N., Burant J. C., Millam J. M., Iyengar S. S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G. A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J. E., Hratchian H. P., Cross J. B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R. E., Yazyev O., Austin A. J., Cammi R., Pomelli C., Ochterski J. W., Ayala P. Y., Morokuma K., Voth G. A., Salvador P., Dannenberg J. J., Zakrzewski V. G., Dapprich S., Daniels A. D., Strain M. C., Farkas O., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Ortiz J. V., Cui Q., Baboul Q. G., Clifford S., Cioslowski J., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Gonzalez C., Pople J. A.: Gaussian 03, Revision C.02. Gaussian, Inc., Wallingford (CT) 2004.
22. J. Chem. Phys. 1984, 81, 3684.
< H. J. C., Postma J. P. M., van Gunsteren W. F., DiNola A., Haak J. R.: https://doi.org/10.1063/1.448118>
23. Phys. Rev. 1967, 159, 98.
< L.: https://doi.org/10.1103/PhysRev.159.98>
24. J. Chem. Phys. 1999, 111, 3155.
< I.-C., Berkowitz M. L.: https://doi.org/10.1063/1.479595>
25. Abramowitz M., Stegun I. A.: Handbook of Mathematical Functions: With Formulas, Graphs and Mathematical Tables, 9th ed., pp. 331–339 and 771–802. Dover Publications, New York 1972.
26. J. Mol. Liq. 2008, 140, 68.
< W., Cheng L., Zhang Y., Wang H., Yu M.: https://doi.org/10.1016/j.molliq.2008.01.008>