Effect of quadrupole moment on excess properties of binary 2CLJQ mixtures from molecular dynamics simulation: Model and real mixtures

Fluid Phase Equilibria

Volumn 135, Issue 1, 1997, Pages 35-50

  Fotouh, K ^a   Shukla, K ^a  

^a Texas A M University System   (United States)

Author keywords

Binary mixtures; Excess properties; Molecular dynamics; Molecular fluids; Molecular simulation; Thermodynamic properties

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; MOLECULAR DYNAMICS; MOLECULES; PRESSURE EFFECTS; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

EXCESS PROPERTIES; MOLECULAR FLUID;

BINARY MIXTURES;

EID: 0031190523     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0378-3812(97)00062-9     Document Type: Article

References (16)

1. K. Shukla, Fluid Phase Equilibria (1996), in press.
2. D. Möller, J. Fischer, Fluid Phase Equilibria 100 (1994) 35.
3. K. Shukla, Presented at the ACS Meeting, University of Tulsa, Oklahoma, 1989.
4. J.M. Haile, Fluid Phase Equilibria 26 (1986) 103.
5. K.P. Shukla, J.M. Haile, Mol. Phys. 62 (1987) 617.
6. K.P. Shukla, J.M. Haile, Mol. Phys. 64 (1988) 1041.
7. A.A. Chialvo, J.M. Haile, Fluid Phase Equilibria 37 (1987) 293.
8. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Oxford Science Publication, 1987.
9. J.M. Haile, Molecular Dynamics Simulation. Elementary Methods, John Wiley and Sons, Inc., Chichester, 1991.
10. H.C. Andersen, J. Chem. Phys. 72 (1980) 2384.
11. J.M. Haile, S. Gupta, J. Chem. Phys. 79 (1983) 3067.
12. C.W. Gear, Numerical Initial Value Problems in Ordinary Differential Equations, Prentice-Hall, Englewood-Cliffs, NJ, 1971.
13. W.W. Wood, in: H.N.V. Temperley, J.S. Rowlinson, G.S. Rushbrooke (Eds.), Physics of Simple Liquids, North-Holland, Amsterdam, 1968, Chap. 5.
14. M. Bohn, J. Fischer, F. Kohler, Fluid Phase Equilibria 31 (1986) 233.
15. C.G. Gray, K.E. Gubbins, Theory of Molecular Fluids, Vol. 1, Clarendon Press, Oxford, 1984.
16. N.B. Vergaftik, Tables on the Thermophysical Properties of Liquids and Gases, John Wiley and Sons, New York, 1975.