Solubility of carbon dioxide in aqueous solutions of methanol. Predictions by molecular simulation and comparison with experimental data

Journal of Physical Chemistry B

Volumn 110, Issue 30, 2006, Pages 14943-14949

  Urukova, Ilina ^a   Vorholz, Johannes ^a,b   Maurer, Gerd ^a  

^a University of Koblenz Landau   (Germany)

^b EVONIK INDUSTRIES AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; ISOTHERMS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; SOLUBILITY; SOLUTIONS;

BINARY INTERACTION PARAMETERS; GIBBS ENSEMBLE MONTE CARLO (GEMC) TECHNIQUE; ISOTHERMALISOBARIC ENSEMBLE; MOLECULAR SIMULATION;

METHANOL;

EID: 33748277438     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060910o     Document Type: Article

References (25)

1. Kristóf, T.; Vorholz, J.; Maurer, G. J. Phys. Chem. B 2002, 106, 7547.
2. Potoff, J. J.; Errington, J. R.; Panagiotopoulos, A. Z. Mol. Phys. 1999, 97, 1073.
3. Palinkas, G.; Hawlicka, E.; Heinzinger, K. Chem. Phys. 1991, 158, 65.
4. Ferrario, M.; Haughney, M.; McDonald, I. R.; Klein, M. L. J. Chem. Phys. 1990, 93, 5156.
5. Strauch, H. J.; Cummings, P. T. Fluid Phase Equilib. 1993, 83, 213.
6. Strauch, H. J.; Cummings, P. T. Fluid Phase Equilib. 1993, 86, 147.
7. Haughney, M.; Ferrario, M.; McDonald, I. R. J. Phys. Chem. 1987, 91, 4934.
8. Handgraaf, J. W.; Meijer, E. J.; Gaigeot, M. P. J. Chem. Phys. 2004, 121, 10111.
9. Venables, D. S.; Schmuttenmaer, C. A. J. Chem. Phys. 2000, 113, 11222.
10. Laaksonen, A.; Kusalik, P. G.; Svishchev, I. M. J. Phys. Chem. A 1997, 101, 5910.
11. Weerasinghe, S.; Smith, P. E. J. Phys. Chem. B 2005, 109, 15080.
12. Stubbs, J. M.; Siepmann, J. I. J. Chem. Phys. 2004, 121, 1525.
13. Panagiotopoulos, A. Z. Mol. Phys. 1987, 61, 813.
14. Panagiotopoulos, A. Z.; Quirke, N.; Stapleton, M.; Tildesley, D. J. Mol. Phys. 1988, 63, 527.
15. Harris, J. G.; Yung, K. H. J. Phys. Chem. 1995, 99, 12021.
16. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. In Intermolecular Forces; Pullmann, B., Ed.; Reidel: Dordrecht, The Netherlands, 1981; p 331.
17. van Leeuwen, M. E.; Smit, B. J. Phys. Chem. 1995, 99, 1831.
18. Vorholz, J.; Harismiadis, V. I.; Rumpf, B.; Panagiotopoulos, A. Z.; Maurer, G. Fluid Phase Equilib. 2000, 170, 203.
19. Errington, J. R.; Panagiotopoulos, A. Z. J. Phys. Chem. B 1998, 102, 7470.
20. Theodorou, D. N.; Suter, U. W. J. Chem. Phys. 1985, 82, 955.
21. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, U. K., 1987.
22. de Leeuw, S. W.; Perram, J. W.; Smith, E. R. Proc. R. Soc. London Ser. A 1980, A373, 27.
23. Pérez-Salado Kamps, Á. Ind. Eng. Chem. Res. 2005, 44, 201.
24. Xia, J.; Jödecke, M.; Pérez-Salado Kamps, Á.; Maurer, G. J. Chem. Eng. Data 2004, 49, 1756.
25. Chang, C. J.; Day, C.-Y.; Ko, C.-M.; Chiu, K.-L. Fluid Phase Equilib. 1997, 131, 243.