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Pressure and coexistence curve of two- and three-dimensional nonadditive hard core mixtures. Exact computer calculation results compared with scaled particle theory predictions

Author

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  • Ehrenberg, V.
  • Schaink, H.M.
  • Hoheisel, C.

Abstract

In recent theoretical work a version of scaled particle theory (SPT) has been used to predict the pressure and the coexistence curve of positive nonadditive hard disk mixtures. Subsequently performed molecular dynamics (MD) calculations for the analogous three-dimensional hard sphere system indicated that SPT gives the coexistence curve at too high densities. We present here new molecular dynamics and Monte Carlo calculation results for the two- and the three-dimensional systems and compare these with the SPT data of Mazo and Bearman, and Tenne and Bergmann. While the MD compressibility factors agree well with those of Tenne and Bergmann, the Mazo-Bearman values are significantly too high. Both author groups predict, however, the demixing densities appreciably higher than the exact machine computation results.

Suggested Citation

  • Ehrenberg, V. & Schaink, H.M. & Hoheisel, C., 1990. "Pressure and coexistence curve of two- and three-dimensional nonadditive hard core mixtures. Exact computer calculation results compared with scaled particle theory predictions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 169(3), pages 365-374.
    • Handle: RePEc:eee:phsmap:v:169:y:1990:i:3:p:365-374
    DOI: 10.1016/0378-4371(90)90108-5
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    Cited by:

    1. Schaink, H.M., 1994. "A molecular dynamics study of a three component mixture of hard spheres with negative non-additive interactions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 210(1), pages 113-126.

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