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Analysis of the pressure effect on the local composition in a water-alkanol mixture using Kirkwood-Buff integrals

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Abstract

Kirkwood-Buff integrals are calculated from the thermodynamic data for binary mixtures of water with methanol, ethanol, 1-propanol, and 2-propanol at a temperature of 298.15 K in the pressure range from atmospheric to 100 MPa. The values of local compositions Δn ij are calculated which characterize the excess (or deficit) of molecules i around the central molecule j. It is found that the pressure affects destructively the homoassociation in all mixtures studied. In a series MeOH < EtOH < 2-PrOH < 1-PrOH an excess of molecules around the similar type molecules increases in the local environment and the pressure effect on the local composition is enhanced.

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References

  1. J. G. Kirkwood and F. P. Buff, J. Chem. Phys., 19, No. 6, 774 (1951).

    Article  CAS  Google Scholar 

  2. E. Ruckenstein and I. Shulgin, J. Phys. Chem. B, 104, No. 11, 2540 (2000).

    Article  CAS  Google Scholar 

  3. E. A. Ploetz and P. E. Smith, J. Chem. Phys., 135, No. 4, 044506-1 (2011).

    Article  Google Scholar 

  4. M. C. A. Donkersloot, J. Solution Chem., 8, No. 4, 293 (1979).

    Article  CAS  Google Scholar 

  5. E. Matteoli and L. Lepori, J. Chem. Phys., 80, No. 6, 2856 (1984).

    Article  CAS  Google Scholar 

  6. I. Shulgin and E. Ruckenstein, J. Phys. Chem. B, 103, No. 13, 2496 (1999).

    Article  CAS  Google Scholar 

  7. Y. Marcus, Monatsch. Chem., 132, No. 11, 1387 (2001).

    Article  CAS  Google Scholar 

  8. A. Perera, F. Sokolić, L. Almásy, and Y. Koga, J. Chem. Phys., 110, No. 25, 12707 (2006).

    Article  Google Scholar 

  9. A. Ben-Naim, A. M. Navarro, and J. M. Leal, Phys. Chem. Chem. Phys., 10, No. 18, 2451 (2008).

    Article  CAS  Google Scholar 

  10. L. Lepori and E. Matteoli, J. Phys. Chem., 92, No. 24, 6997 (1988).

    Article  CAS  Google Scholar 

  11. A. Ben-Naim, J. Phys. Chem., 93, No. 9, 3809 (1989).

    Article  CAS  Google Scholar 

  12. A. Ben-Naim, Pure Appl. Chem., 62, 25 (1990).

    Article  CAS  Google Scholar 

  13. A. M. Zaichikov and M. A. Krest’yaninov, J. Struct. Chem., 50, No. 4, 647–656 (2009).

    Article  CAS  Google Scholar 

  14. E. Matteoli and L. Lepori, J. Chem. Soc. Faraday Trans., 91, No. 3, 431 (1995).

    Article  CAS  Google Scholar 

  15. E. Matteoli, J. Phys. Chem. B, 101, No. 47, 9800 (1997).

    Article  CAS  Google Scholar 

  16. I. L. Shulgin and E. Ruckenstein, J. Phys. Chem. B, 110, No. 25, 12707 (2006).

    Article  CAS  Google Scholar 

  17. I. L. Shulgin and E. Ruckenstein, Phys. Chem. Chem. Phys., 10, No. 8, 1097 (2008).

    Article  CAS  Google Scholar 

  18. J. Hu, C. A. Haynes, A. H. Y. Wu, C. M. W. Cheung, M. M. Chen, E. G. M. Yee, T. Ichioka, K. Nishikawa, P. Westh, and Y. Koga, Can. J. Chem., 81, No. 2, 141 (2003).

    Article  CAS  Google Scholar 

  19. G. C. Benson and O. Kiyohara, J. Solution Chem., 9, No. 10, 791 (1980).

    Article  CAS  Google Scholar 

  20. A. J. Easteal and L. A. Woolf, J. Chem. Thermodyn., 17, No. 1, 69 (1985).

    Article  CAS  Google Scholar 

  21. A. J. Easteal and L. A. Woolf, J. Chem. Thermodyn., 17, No. 1, 49 (1985).

    Article  CAS  Google Scholar 

  22. D. Pečar and V. Doleček, Fluid Phase Equil., 230, Nos. 1/2, 36 (2005).

    Google Scholar 

  23. E. Matteoli and L. Lepori, J. Mol. Liq., 47, Nos. 1—3, 89 (1990).

    Article  CAS  Google Scholar 

  24. Y. Miyamotoa, M. Takemoto, M. Hosokawa, Y. Uosaki, and T. Moriyoshi, J. Chem. Thermodyn., 22, No. 10, 1007 (1990).

    Article  Google Scholar 

  25. G. I. Egorov, V. N. Afanas’ev, and A. M. Kolker, Zh. Obshch. Khim., 74, No. 2, 194 (2004).

    Google Scholar 

  26. G. I. Egorov and D. M. Makarov, Zh. Fiz. Khim., 82, No. 6, 1175 (2008).

    Google Scholar 

  27. A. L. Zaitsev, V. E. Petrenko, and Y. M. Kessler, J. Solution Chem., 18, No. 2, 115 (1989).

    Article  CAS  Google Scholar 

  28. L. Dougan, S. P. Bates, R. Hargreaves, J. P. Fox, J. Crain, J. L. Finney, V. Réat, and A. K. Soper, J. Chem. Phys., 121, No. 13, 6456 (2004).

    Article  CAS  Google Scholar 

  29. A. Perera, L. Zoranić, F. Sokolić, and R. Mazighi, J. Mol. Liq., 159, No. 1, 52 (2011).

    Article  CAS  Google Scholar 

  30. Y. Marcus, Phys. Chem. Chem. Phys., 1, 2975 (1999).

    Article  CAS  Google Scholar 

  31. H. Hayashi, K. Nishikawa, and T. Iijima, J. Phys. Chem., 94, No. 21, 8334 (1990).

    Article  CAS  Google Scholar 

  32. K. Yoshida and T. Yamaguchi, Z. Naturforsch., 56a, 529 (2001).

    Google Scholar 

  33. A. B. Roney, B. Space, E. W. Castner, R. L. Napoleon, and P. B. Moore, J. Phys. Chem. B, 108, No. 22, 7389 (2004).

    Article  CAS  Google Scholar 

  34. E. V. Ivanov and V. K. Abrosimov, J. Struct. Chem., 46, No. 5, 856–861 (2005).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, Russia

    D. M. Makarov & G. I. Egorov

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  1. D. M. Makarov
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  2. G. I. Egorov
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Correspondence to D. M. Makarov.

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Original Russian Text © 2014 D. M. Makarov, G. I. Egorov.

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 55, No. 2, pp. 283–289, March–April, 2014.

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Makarov, D.M., Egorov, G.I. Analysis of the pressure effect on the local composition in a water-alkanol mixture using Kirkwood-Buff integrals. J Struct Chem 55, 263–269 (2014). https://doi.org/10.1134/S0022476614020103

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