Comparison of equations of state for pure Lennard-Jones fluids and mixtures with molecular simulation data

Fluid Phase Equilibria

Volumn 173, Issue 2, 2000, Pages 189-209

  Liu, Zhi Ping ^a   Li, Yi Gui ^a   Lu, Jiu Fang ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Chain like molecule; Cotterman equation; Equation of state; Lennard Jones; Perturbation theory; Statistical associating fluid theory

Indexed keywords

MONOMER;

EQUATION; LIQUID-SOLID MIXING; MIXTURE;

ARTICLE; CONTROLLED STUDY; CORRELATION FUNCTION; DISPERSION; ENERGY; LIQUID; NONHUMAN; STATISTICAL ANALYSIS; TEMPERATURE; THEORY; THERMODYNAMICS;

CORRELATION METHODS; EQUATIONS OF STATE; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES;

COTTERMAN EQUATIONS; LENNARD-JONES FLUIDS; MOLECULAR SIMULATIONS;

PHASE EQUILIBRIA;

EID: 0034624889     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-3812(00)00409-X     Document Type: Article

References (19)

1. Li C.-X., Li Y.-G., Lu J.-F. Investigation and improvement of equations of state for Lennard-Jones fluid. Fluid Phase Equilibria. 127:1997;71-78.
2. Johnson J.K., Zollweg J.A., Gubbins K.E. The Lennard-Jones equation of state revisited. Mol. Phys. 78(3):1993;591-618.
3. Kolafa J., Nezbeda I. The Lennard-Jones fluid - an accurate analytic and theoretically-based equation of state. Fluid Phase Equilibria. 100:1994;1-34.
4. Cotterman R.L., Schwartz B.J., Prausnitz J.M. Molecular thermodynamics for fluids at low and high densities: Part 1. Pure fluids containing small or large molecules. AIChE J. 32(11):1986;1787-1798.
5. Fotouh K., Shukla K. An improved perturbation theory and van der Waals one-fluid theory of binary fluid mixtures: Part 1. Total and excess thermodynamic properties. Fluid Phase Equilibria. 127:1997;45-70.
6. Fotouh K., Shukla K. An impoved perturbation theory and van der Waals one-fluid theory of binary fluid mixtures: Part 2. Phase equilibria. Fluid Phase Equilibria. 137:1997;1-16.
7. Wertheim M.S. Thermodynamic perturbation theory of polymerization. J. Chem. Phys. 87(12):1987;7323-7334.
8. Chapman W.G., Gubbins K.E., Jackson G., Radosz M. New reference equation of state for associating liquids. Ind. Eng. Chem. Res. 29(8):1990;1709-1721.
9. A. Gil-Villegas, A. Galindo, P.J. Whitehead, et al., Statistical associating fluid theory for chain molecules with attractive potentials of variable range, J. Chem. Phys. 106 (10) (1997) 4168-4186.
10. Davies L.A., Gil-Villegas A., Jackson G. Describing the properties of chains of segments interacting via soft-core potentials of variable range with the SAFT-VR approach. Int. J. Thermophys. 19(3):1998;675-686.
11. Mansoori G.A., Carnahan N.F., Starling K.E., Leland T.W. Equilibrium thermodynamic properties of the mixtures of hard spheres. J. Chem. Phys. 54(4):1971;1523-1525.
12. Barker J.A., Henderson D. Perturbation theory and equation of states for liquids, II. A successful theory for liquids. J. Chem. Phys. 47(11):1967;4714-4721.
13. Nicolas J.J., Gubbins K.E., Streett W.B., Tildesley D.J. Equation of state for the Lennard-Jones fluid. Mol. Phys. 37(5):1979;1429-1454.
14. Johnson J.K., Muller E.A., Gubbins K.E. Equation of state for Lennard-Jones chains. J. Chem. Phys. 98(25):1994;6413-6419.
15. Lotfi A., Vrabec J., Fischer J. Vapor-liquid equilibria of the Lennard-Jones fluid from the NPT plus test particle method. Mol. Phys. 76(6):1992;1319-1333.
16. Hoheisel C., Deiters U., Lukas K. An extension of pure fluid thermodynamic properties to supercritical mixtures - a comparison of current theories with computer data over a large region of states. Mol. Phys. 49(1):1983;159-170.
17. Solms C.V., O'Lenick R., Chiew Y.C. Lennard-Jones chain mixtures: variational theory and Monte Carlo simulation results. Mol. Phys. 96(1):1999;15-19.
18. Shing K.S., Gubbins K.E. The chemical potential in non-ideal liquid mixtures - computer simulation and theory. Mol. Phys. 49(5):1983;1121-1138.
19. Guo M.-X., Li Y.-G., Li Z.-C., Lu J.-F. Molecular simulation of liquid-liquid equilibria for Lennard-Jones fluids. Fluid Phase Equilibria. 98:1994;129-139.