Simulation Study of the Volume Properties and Diffusion of 1-Butyl-3-Methylimidazolium Tetrafluoroborate/Ethanol Mixture

Abstract:

The molecular dynamics simulation method is used to study volume properties and diffusion of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF₄])/ethanol mixture with different molar fractions of ethanol. It is found that the density of the mixture decrease with the increasing of the mole fraction of ethanol, whereas the diffusion coefficient increases. The excess molar volume all appear negative over the entire mole fraction of ethanol which agree well with experimental results.

• Periodical: Advanced Materials Research (Volume 1095)
• Pages: 363-366
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1095.363
• Online since: March 2015
• Authors: Guo Cai Tian*, Ding Wang
• Keywords: 1-butyl-3-methylimidazolium Tetrafluoroborate, Diffusion, Ethanol, Excess Molar Volume

References

[1] T. Welton, Chem. Rev. Vol. 99 (1999), p.2071.

[2] K. R. Seddon, J. Chem. Tech. Biotechnol., Vol. 68 (1997), p.351.

[3] J. S. Wilkes, Green Chem., Vol. 4 (2002), p.73.

[4] Y. Chauvin, L. Mussmann, H. Olivier, Angew. Chem., Int. Ed. Engl., Vol. 34 (1996), p.2698.

[5] R. D. Roger, K.R. Seddon, Science, Vol. 302 (2003), p.792.

[6] J. Dupont, R. F. de Souza, P. A. Z. Suarez, Chem. Rev., Vol. 102 (2002), p.3667.

[7] J. G. Huddleston, H. D. Willaver, A. E. Visser, D. Rogers, Chem. Commun., 1998, p.1765.

[8] S. Park, R. J. Kazlauskas, Curr. Opin. Biotechnol., Vol. 14 (2003), p.432.

[9] L. Wang, L. Chang, B. Zhao, Z. Yuan, Inorg. Chem., Vol. 47 (2008), p.1443.

[10] G. C. Tian in: Green Solvents II: Properties and Applications of Ionic Liquids, edtied by Ali Mohammad, Dr. Inamuddin, Springer, UK(2012).

DOI: 10.1007/978-94-007-2891-2

[11] G. C. Tian, J. Li, Y. X. Hua, Trans. Nonferrous Met. Soc. China, Vol. 20 (2010), p.513.

[12] J. M. Crosthwaite, S. N. V. K. Aki, E. J. Maggin, J. Phys. Chem. B, Vol. 108 (2004), p.5113.

[13] E. Rile, J. Pico, S Garcia-Garabal, L. M. Varela, Fluid Phase Equilib, Vol. 285 (2009), p.83.

[14] Y. Qiao, F. Yan, S. Xia, S. Yin, P. Ma, J. Chem. Eng. Data, Vol. 56 (2011), p.2379.

[15] H. Yao, S. Zhang, J. Wang, Q. Zhou, J. Chem. Eng. Data, Vol. 57 (2012), p.875.

[16] G. Raabe, J. Kohler, J. Chem. Phys., Vol. 129 (2008), p.144503.

[17] S. Jahangiri, M. Taghikhani, H. Behnejad, J. Mol. Phys., Vol. 8 (2008), p.1015.

[18] T. Mendez-Morales, J Carrete, O. Gallego, J. Phys. Chem. B, Vol. 115 (2011), p.11170.

[19] D. Wang, G. C. Tian, Acta Phys. -Chim. Sin., Vol. 28 (2012), p.2558.

[20] G.C. Tian，H. Feng, J. Zhang, Advanced Materials Research, Vol. 549, p.152.

[21] Y. Jeon, J. Sung, C. Seo, H. Lim, D. Kim, J. Phys. Chem. B, Vol. 112 (2008), p.4735.

[22] J. G. Huddleston, A.E. Visser, W.M. Reichert, R.D. Rogers, , Green Chem, Vol 3 (2001), p.156.

[23] I. N. Canongia-Lopes, J. Deschamps, A. Padua, J. Phys. Chem. B, Vol. 108 (2004), p.2038.

[24] J. de Andrade. E. S. Bees, H. Stassen, J. Phys. Chem. B, Vol. 106 (2002), p.13344.

[25] W. D. Cornell, P. Cieplak, C.L. Bayly, J. Am. Chem. Soc., Vol. 117 (1995), p.5179.

[26] A. P. Lyubartsev, A. Laaksonen, Comput. Phys. Comm., Vol. 128 (2000), p.565.