Accurate vapour-liquid equilibrium calculations of simple fluids

Phase Transitions

Volumn 57, Issue 4, 1996, Pages 183-198

  Cuadros, F ^a   Okrasinski, W ^b   Ahumada, W ^c   Mulero, A ^a  

^a UNIVERSITY OF EXTREMADURA   (Spain)

^b UNIVERSITY OF WROC AW   (Poland)

^c UNIVERSIDAD CATÓLICA DEL NORTE   (Chile)

Author keywords

Liquid vapour equilibrium curve; Thermodynamic properties

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); FLUIDS; FUNCTIONS; MATHEMATICAL MODELS; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

CHEMICAL POTENTIAL EQUATION; LIQUID VAPOUR EQUILIBRIUM CURVE; PRESSURE EQUATION; THREE DIMENSIONAL LENNARD-JONES FLUIDS;

PHASE TRANSITIONS;

EID: 0030373528     PISSN: 01411594     EISSN: None     Source Type: Journal    
DOI: 10.1080/01411599608208745     Document Type: Article

References (24)

1. Adams, D.J. (1976). Calculating the low temperature vapour line by Monte Carlo. Molec. Phys., 32, 647-657.
2. Aim, K., Kolafa, J., Nezbeda, I. and Vörtler, H.L. (1993). The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state. Fluid Phase Eq., 83, 15-22.
3. Carnahan, N.F. and Starling, K.E. (1969). Equation of state for non-attracting rigid spheres. J. Chem. Phys., 51, 635-636.
4. Cuadros, F. (1984). Doctoral Thesis, University of Extremadura, Spain.
5. Cuadros, F. and Mulero, A. (1991). Scaling the WCA reference system for two-dimensional Lennard-Jones fluids. Chem. Phys., 156, 33-41.
6. Cuadros, F. and Mulero, A. (1992). A validity test of the WCA perturbation theory for two-dimensional Lennard-Jones fluids. Chem. Phys., 160, 375-382.
7. Cuadros, F. and Mulero, A. (1993). Helmholtz free energy for two-dimensional Lennard-Jones fluids. Chem. Phys., 177, 53-60.
8. Cuadros, F., Mulero, A. and Ahumada, W. (1995a). An analytical expression for the Helmholtz free energy of Lennard-Jones fluids. Thermochim. Acta (in press).
9. Cuadros, F., Mulero, A., Cachadiña, I. and Ahumada, W. (1995b). A new procedure for determining Lennard-Jones interaction parameters. International Rev. in Phys. Chem., 14, 205-213.
10. Cuadros, F. and Ahumada, W. (1995c). Accurate analytical expressions of thermodynamic properties of Lennard-Jones fluids. Int. Rev. Phys. Chem. (submitted for publication).
11. Cuadros, F., Valderrama, J.O. and Mulero, A. (1993). Modification of the Soave equation of state suggested by using computer simulation. Chem. Engng. Sci., 48, 513-519.
12. DIPPD (Design Institute for Physical Property Data) (1993). American Institute of Chemical Engineers.
13. Hansen, J.P. and McDonald, I.R. (1976). Theory of Simple Liquids. (Academic Press, New York).
14. Johnson, J.K., Zollweg, J.A. and Gubbins, K.E. (1993). The Lennard-Jones equation of state revised. Mol. Phys., 78, 591-618.
15. Kolafa, J. and Nezbeda, I. (1994). The Lennard-Jones fluid: An accurate analytic and theoreticaly based equation of state. Fluid Phase Eq., 100, 1-34.
16. Lotfi, A., Vrabec, J. and Fischer, J. (1992). Vapour liquid equlibria of the Lennard-Jones fluid from the NpT plus test particle method. Molec. Phys., 76, 1319-1333.
17. Mulero, A., Cuadros, F. and Pérez-Ayala, M. (1993). Displying the role of repulsive and attractive intermolecular forces in fluids. Am. J. Phys., 61, 641.
18. Panagiotopoulos, A.Z., Quirke, N., Stapleto, M. and Tildesley, D.J. (1988). Phase equlibria by simulation in the Gibbs ensemble. Alternative derivation, generalization and application to mixture and membrane equlibria. Molec. Phys., 63, 527-545.
19. Rull, L.F., Cuadros, F. and Morales, J.J. (1987). The van der Waals model of dense fluids, dependence of the Helmholtz free energy on temperature and density. Phys. Letters A, 123, 217.
20. de Souza, L.E.S., Stamatopoulou, A. and Ben-Amotz, D. (1994). Chemical potentials of hard sphere solutes in hard sphere solvents. Monte Carlo simulations and analytical approximations. J. Chem. Phys., 100, 1456.
21. Verlet, L. and Weis, J.J. (1972). Equlibrium theory of simple liquids. Phys. Rev. A, 5, 939-952.
22. Walas, S.M. (1985). Phase Equilibria in Chemical Engineering. (Butterworth, Boston).
23. Weeks, J.D., Chandler, D. and Andersen, H.C. (1971). Role of repulsive forces in determining the equhbrium structure of simple liquids. J. Chem. Phys., 54, 5237-5247.
24. Weeks, J.D. and Broughton, J.Q. (1983). Van der Waals theory of melting in two and three dimensions. J. Chem. Phys., 78, 4197-4205.