Abstract
We outline the numerical methods of solution of integral equations describing the microstructure of supercritical mixtures, including the Picard and Labik-Gillan methods. Solution of these equations yields the solvent-solute, solvent-solvent, and solute-solute pair correlation functions g ij (r). We illustrate calculated microstructures of supercritical solutions for both attractive and repulsive systems. The important structural aspects are the variations of the peak heights of g ij (r) (which are not related to near-critical behavior) and long-range tails in g ij r) which influence divergence in the partial molar volume and the mixture osmotic susceptibilities (which are due to critical effects).
Keywords
- Supercritical Fluid
- Partial Molar Volume
- Pair Correlation Function
- Isothermal Compressibility
- Direct Correlation Function
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References
Llano-Restrepo, M.; Chapman, W. G. J. Chem. Phys., 1993, preprint.
Lee, L. L. J. Chem. Phys., 1992, 97, 8606.
Chialvo, A. A.; Cummings, P. T. 1993, preprint.
Debenedetti, P. G.; Mohamed, R. S. J Chem. Phys., 1989, 90, 4528.
Gillan, M. J. Mol. Phys., 1979, 38, 1781.
Labik, S.; Malijevsky, A.; Vonka, P. Mol. Phys., 1985, 56, 709.
Monson, P. A. Mol. Phys., 1982, 47, 435.
Enciso, E. Mol. Phys., 1985, 56, 129.
Watts, R. O. J. Chem. Phys., 1968, 48, 50.
Baxter, R.J. Phys. Rev., 1967, 154, 170.
Baxter, R. J. Aust. J. Phys., 1968, 21, 563.
Baxter, R. J. J. Chem. Phys., 1970, 52, 4559.
Cummings, P. T.; Monson, P. A. presented at 10th Symp. on Thermophys. Props., Gaithers-burg, MD, June 20–23, 1988.
Busigin, A. and C. R. Phillips, Mol. Phys., 1992, 76, 89.
Cochran, H. D.; Lee, L. L. In Supercritical Fluid Science and Technology, Johnston, K. P.; Penninger, J. M. L. Eds.; ACS Symp. Ser. 406; American Chemical Society: Washington, DC, 1989; Chapter 3.
Cochran, H. D.; Lee, L. L.; Pfund, D. M. Fluid Phase Equilibr., 1987, 34, 219.
Cochran, H. D.; Lee, L. L.; Pfund, D. M. Proc. Int. Symp. on Supercritical Fluids, Permt, M.; Ed.; Nice, France, 1988, 245.
Cochran, H. D.; Lee, L. L.; Pfund, D. M. Fluctuation Theory of Mixtures, Matteoli, E.; Ed.; Advances in Thermodynamics Series, Taylor and Francis; 1989.
Cochran, H. D.; Pfund, D. M.; Lee, L. L. Sep. Sci & Tech., 1988, 23, 2031.
Lee, L. L.; Debenedetti, P. G.; Cochran, H. D. In Supercritical Fluid Technology; Ely, J.F.; Bruno, T.J.; Eds.; Chemical Rubber Co., 1991.
McGuigan, D. B.; Monson, P.A. Fluid Phase Equilibr, 1990, 57, 227.
Wu, R. S.; 1990 PhD. Dissertation, University of Oklahoma, Norman, OK, 1990.
Wu, R. S.; Lee, L. L.; Cochran, H. D. I&EC Research, 1990 29, 977.
Wu, R. S.; Lee, L. L.; Cochran, H. D. J. Supercritical Fluids, 1992, 5, 192.
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© 1994 Springer Science+Business Media Dordrecht
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Lee, L.L., Cochran, H.D. (1994). Integral Equations for the Microstructures of Supercritical Fluids. In: Kiran, E., Sengers, J.M.H.L. (eds) Supercritical Fluids. NATO ASI Series, vol 273. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8295-7_14
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DOI: https://doi.org/10.1007/978-94-015-8295-7_14
Publisher Name: Springer, Dordrecht
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