메뉴 건너뛰기




Volumn 52, Issue 14, 1997, Pages 2369-2382

Excess properties of ternary fluid mixtures from simulation, perturbation theory and van der Waals one-fluid theory: Size and energy parameter effects

Author keywords

Excess properties; Mixing rule; Molecular dynamics; Perturbation theory; Ternary mixtures; Van der Waals one fluid theory

Indexed keywords

COMBINATORIAL MATHEMATICS; COMPUTER SIMULATION; EQUATIONS OF STATE OF LIQUIDS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; VAN DER WAALS FORCES;

EID: 0031194419     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2509(97)00053-5     Document Type: Article
Times cited : (5)

References (22)
  • 1
    • 36749107785 scopus 로고
    • Molecular dynamics simulations at constant pressure and/or temperature
    • Andersen, H. C. (1980) Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys. 72, 2386.
    • (1980) J. Chem. Phys. , vol.72 , pp. 2386
    • Andersen, H.C.1
  • 2
    • 0025473474 scopus 로고
    • New reference equation of state for associating liquids
    • Chapman, W. G., Gubbins, K. E., Jackson, G. and Radosz, M. (1990) New reference equation of state for associating liquids. I&EC Res. 29, 1709.
    • (1990) I&EC Res. , vol.29 , pp. 1709
    • Chapman, W.G.1    Gubbins, K.E.2    Jackson, G.3    Radosz, M.4
  • 3
    • 33751500456 scopus 로고
    • Determination of excess Gibbs free energy by the single charging integral approach. 2. Infinite dilution activity coefficients and related quantities
    • Chialvo, A. A. (1991) Determination of excess Gibbs free energy by the single charging integral approach. 2. Infinite dilution activity coefficients and related quantities. J. Phys. Chem. 95, 6683.
    • (1991) J. Phys. Chem. , vol.95 , pp. 6683
    • Chialvo, A.A.1
  • 4
    • 0031004795 scopus 로고    scopus 로고
    • An improved perturbation theory and van der Waals one-fluid theory of binary fluid mixtures. Part 1. Total and excess thermodynamic properties
    • Fotouh, K. and Shukla, K. (1997) 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, 45.
    • (1997) Fluid Phase Equilibria , vol.127 , pp. 45
    • Fotouh, K.1    Shukla, K.2
  • 5
    • 0030273971 scopus 로고    scopus 로고
    • Thermodynamic properties of ternary fluid mixtures from the improved perturbation theory and van der Waals one-fluid theory
    • Fotouh, K. and Shukla, K. (1996b) Thermodynamic properties of ternary fluid mixtures from the improved perturbation theory and van der Waals one-fluid theory. Chem. Engng Sci. 51, 4923.
    • (1996) Chem. Engng Sci. , vol.51 , pp. 4923
    • Fotouh, K.1    Shukla, K.2
  • 8
    • 0011381791 scopus 로고
    • Application of molecular theory to phase equilibrium predictions
    • Ed. Sandler, S. I., Chap. 6, Marcel Dekker, New York, U.S.A.
    • Gubbins, K. E. (1994) Application of molecular theory to phase equilibrium predictions. In Models for Thermodynamic and Phase equilibria Calculations, Ed. Sandler, S. I., Chap. 6, p. 507. Marcel Dekker, New York, U.S.A.
    • (1994) Models for Thermodynamic and Phase Equilibria Calculations , pp. 507
    • Gubbins, K.E.1
  • 9
    • 0000044998 scopus 로고
    • Extensions of the molecular dynamics method. II. Isothermal systems
    • Haile, J. M. and Gupta, S. (1983) Extensions of the molecular dynamics method. II. Isothermal systems. J. Chem. Phys. 79, 3067.
    • (1983) J. Chem. Phys. , vol.79 , pp. 3067
    • Haile, J.M.1    Gupta, S.2
  • 10
    • 33646037865 scopus 로고
    • The Lennard-Jones equation of state revisited
    • Johnson, J. K, Zollweg, J. A. and Gubbins, K. E. (1993) The Lennard-Jones equation of state revisited. Mol. Phys. 78, 591.
    • (1993) Mol. Phys. , vol.78 , pp. 591
    • Johnson, J.K.1    Zollweg, J.A.2    Gubbins, K.E.3
  • 11
    • 0028501830 scopus 로고
    • The Lennard-Jones fluids: An accurate analytic and theoretically-based equation of state
    • Kolafa, J. and Nezbeda, I. (1994) The Lennard-Jones fluids: an accurate analytic and theoretically-based equation of state. Fluid Phase Equilibria 100, 1.
    • (1994) Fluid Phase Equilibria , vol.100 , pp. 1
    • Kolafa, J.1    Nezbeda, I.2
  • 15
    • 0000466447 scopus 로고
    • Thermodynamic properties of simple fluid mixtures from perturbation theory
    • Shukla, K. P. (1987) Thermodynamic properties of simple fluid mixtures from perturbation theory. Mol. Phys. 62, 1143.
    • (1987) Mol. Phys. , vol.62 , pp. 1143
    • Shukla, K.P.1
  • 16
    • 0028482527 scopus 로고
    • Phase equilibria and thermodynamic properties of molecular fluids from perturbation theory. II. Binary fluid mixtures
    • Shukla, K. P. (1994a) Phase equilibria and thermodynamic properties of molecular fluids from perturbation theory. II. Binary fluid mixtures. Fluid Phase Equilibria 99, 153.
    • (1994) Fluid Phase Equilibria , vol.99 , pp. 153
    • Shukla, K.P.1
  • 18
    • 0001661992 scopus 로고
    • Computer simulation results for thermodynamic excess properties in fluid mixtures. I. Effects of atomic size in simple mixtures
    • Shukla, K. P. and Haile, J. M. (1987) Computer simulation results for thermodynamic excess properties in fluid mixtures. I. Effects of atomic size in simple mixtures. Mol. Phys. 62, 617.
    • (1987) Mol. Phys. , vol.62 , pp. 617
    • Shukla, K.P.1    Haile, J.M.2
  • 19
    • 0000231782 scopus 로고
    • Computer simulation results for thermodynamic excess properties in fluid mixtures. II. Effects of energy parameter differences in simple binary mixtures
    • Shukla, K. P. and Haile, J. M. (1988) Computer simulation results for thermodynamic excess properties in fluid mixtures. II. Effects of energy parameter differences in simple binary mixtures. Mol. Phys. 64, 1041.
    • (1988) Mol. Phys. , vol.64 , pp. 1041
    • Shukla, K.P.1    Haile, J.M.2
  • 21
    • 36849103820 scopus 로고
    • Role of repulsive forces in determining the equilibrium structure of simple liquids
    • Weeks, J. D., Chandler, D. and Andersen, H. C. (1971) Role of repulsive forces in determining the equilibrium structure of simple liquids. J. Chem. Phys. 54, 5237.
    • (1971) J. Chem. Phys. , vol.54 , pp. 5237
    • Weeks, J.D.1    Chandler, D.2    Andersen, H.C.3
  • 22
    • 0004248705 scopus 로고
    • Chap. 5, eds H. N. V. Temperley, J. S. Rowlinson and G. S. Rushbrooke. North-Holland, Amsterdam
    • Wood, W. W. (1968) In Physics of Simple Liquids, (Chap. 5, eds H. N. V. Temperley, J. S. Rowlinson and G. S. Rushbrooke. North-Holland, Amsterdam.
    • (1968) Physics of Simple Liquids
    • Wood, W.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.