메뉴 건너뛰기




Volumn 120, Issue 1-2, 1996, Pages 107-119

Simulation studies on mixtures of dipolar with nonpolar linear molecules II. A mixing rule for the dipolar contribution to the Helmholtz energy

Author keywords

Dipolar fluids; Equations of state and computer simulations; Mixing rules; Theory

Indexed keywords

MIXING RULES; SIMULATION;

EID: 0030153483     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/0378-3812(95)02988-5     Document Type: Article
Times cited : (21)

References (34)
  • 1
    • 0000973072 scopus 로고
    • Dielectric constant of a Stockmayer fluid along the vapour-liquid coexistence curve
    • Boda, D., Liszi, J. and Szalai, I., 1995. Dielectric constant of a Stockmayer fluid along the vapour-liquid coexistence curve. Mol. Phys., 85: 429-434.
    • (1995) Mol. Phys. , vol.85 , pp. 429-434
    • Boda, D.1    Liszi, J.2    Szalai, I.3
  • 2
    • 0026866946 scopus 로고
    • Perturbation theory for mixtures of polar and non-polar anisotropic molecules
    • Boublik, T., 1992. Perturbation theory for mixtures of polar and non-polar anisotropic molecules. Fluid Phase Equilibria, 73: 211-224.
    • (1992) Fluid Phase Equilibria , vol.73 , pp. 211-224
    • Boublik, T.1
  • 3
    • 0000529335 scopus 로고
    • Application of the augmented van der Waals theory of fluids. I. Pure fluids. Ber. Bunsenges
    • Chen, S.S. and Kreglewski, A., 1977. Application of the augmented van der Waals theory of fluids. I. Pure fluids. Ber. Bunsenges. Phys. Chem., 81: 1048-1052.
    • (1977) Phys. Chem. , vol.81 , pp. 1048-1052
    • Chen, S.S.1    Kreglewski, A.2
  • 4
    • 0000394825 scopus 로고
    • Molecular dynamics studies of polar/nonpolar fluid mixtures. I. Mixtures of Lennard-Jones and Stockmayer fluids
    • de Leeuw, S.W., Smit, B. and Williams, C.P., 1990. Molecular dynamics studies of polar/nonpolar fluid mixtures. I. Mixtures of Lennard-Jones and Stockmayer fluids. J. Chem. Phys. 93: 2704-2714.
    • (1990) J. Chem. Phys. , vol.93 , pp. 2704-2714
    • De Leeuw, S.W.1    Smit, B.2    Williams, C.P.3
  • 5
    • 0001186955 scopus 로고
    • Reaction field simulations of the vapour liquid equilibria of dipolar fluids. Does the reaction field dielectric constant effect the coexistence properties?
    • Garzón, B., Lago, S. and Vega, C., 1994. Reaction field simulations of the vapour liquid equilibria of dipolar fluids. Does the reaction field dielectric constant effect the coexistence properties? Chem Phys. Lett., 231: 366-372.
    • (1994) Chem Phys. Lett. , vol.231 , pp. 366-372
    • Garzón, B.1    Lago, S.2    Vega, C.3
  • 7
    • 0017995948 scopus 로고
    • Thermodynamics of polyatomic fluid mixtures. I
    • Gubbins, K.E. and Twu, C.H., 1978. Thermodynamics of polyatomic fluid mixtures. I. Chem. Eng. Sci., 33: 863-878.
    • (1978) Chem. Eng. Sci. , vol.33 , pp. 863-878
    • Gubbins, K.E.1    Twu, C.H.2
  • 9
    • 0023439751 scopus 로고
    • Improved conformal solution theory for mixtures of large size ratios
    • Huber, M.L. and Ely, J.F., 1987. Improved conformal solution theory for mixtures of large size ratios. Fluid Phase Equilibria, 37: 105-121.
    • (1987) Fluid Phase Equilibria , vol.37 , pp. 105-121
    • Huber, M.L.1    Ely, J.F.2
  • 10
    • 33646471468 scopus 로고
    • Statistical mechanics of fluid mixtures
    • Kirkwood, J. G., 1935. Statistical mechanics of fluid mixtures. J. Chem. Phys., 3: 300.
    • (1935) J. Chem. Phys. , vol.3 , pp. 300
    • Kirkwood, J.G.1
  • 12
    • 0042124254 scopus 로고    scopus 로고
    • Excess properties of dipolar with nonpolar fluid mixtures from NpT-molecular dynamics simulations
    • Kriebel, C., Müller, A., Winkelmann, J. and Fischer, J., 1996a. Excess properties of dipolar with nonpolar fluid mixtures from NpT-molecular dynamics simulations. Mol. Phys., 87: 151-157.
    • (1996) Mol. Phys. , vol.87 , pp. 151-157
    • Kriebel, C.1    Müller, A.2    Winkelmann, J.3    Fischer, J.4
  • 14
    • 0024017076 scopus 로고
    • Augmented BACK equation of state for polar fluids
    • Lee, M.J. and Chao, K.C., 1988a. Augmented BACK equation of state for polar fluids. AIChE J., 34: 825-833.
    • (1988) AIChE J. , vol.34 , pp. 825-833
    • Lee, M.J.1    Chao, K.C.2
  • 15
    • 0024104987 scopus 로고
    • Augmented BACK equation of state II: Polar fluid mixtures
    • Lee, M.J. and Chao, K.C., 1988b. Augmented BACK equation of state II: Polar fluid mixtures. AIChE J., 34: 1773-1780.
    • (1988) AIChE J. , vol.34 , pp. 1773-1780
    • Lee, M.J.1    Chao, K.C.2
  • 16
    • 0025444796 scopus 로고
    • Polar pressure of water and simplified augmented BACK equation of state
    • Lee, M.J. and Chao, K.C., 1990. Polar pressure of water and simplified augmented BACK equation of state. Fluid Phase Equilibria, 58: 1-12.
    • (1990) Fluid Phase Equilibria , vol.58 , pp. 1-12
    • Lee, M.J.1    Chao, K.C.2
  • 17
    • 37049113922 scopus 로고
    • Statistical thermodynamics of mixtures of molecules of different sizes
    • Leland, T.W., Rowlinson, J.S. and Sather, G.A., 1968. Statistical thermodynamics of mixtures of molecules of different sizes. Trans. Faraday Soc., 64: 1447-1460.
    • (1968) Trans. Faraday Soc. , vol.64 , pp. 1447-1460
    • Leland, T.W.1    Rowlinson, J.S.2    Sather, G.A.3
  • 18
    • 36849115660 scopus 로고
    • Variational approach to equilibrium thermodynamic properties of simple fluid mixtures
    • Mansoori, G.A. and Leland, T.W., 1970. Variational approach to equilibrium thermodynamic properties of simple fluid mixtures. J. Chem. Phys., 53: 1931-1936.
    • (1970) J. Chem. Phys. , vol.53 , pp. 1931-1936
    • Mansoori, G.A.1    Leland, T.W.2
  • 20
    • 0037913928 scopus 로고
    • Mixtures of dipolar with nonpolar linear molecules. Results from simulations and theory
    • Müller, A., Winkelmann, J., Boublik, T. and Fischer, J., 1993a. Mixtures of dipolar with nonpolar linear molecules. Results from simulations and theory. Mol. Phys., 78: 121-135.
    • (1993) Mol. Phys. , vol.78 , pp. 121-135
    • Müller, A.1    Winkelmann, J.2    Boublik, T.3    Fischer, J.4
  • 21
    • 0001671966 scopus 로고
    • Effect of molecular elongation on the dipolar free energy
    • Müller, A., Winkelmann, J. and Fischer, J., 1993b. Effect of molecular elongation on the dipolar free energy. J. Chem. Phys., 99: 3946-3949.
    • (1993) J. Chem. Phys. , vol.99 , pp. 3946-3949
    • Müller, A.1    Winkelmann, J.2    Fischer, J.3
  • 22
    • 0028486477 scopus 로고
    • Simulation studies on mixtures of dipolar with nonpolar linear molecules. I. Liquid/liquid phase separation
    • Müller, A., Winkelmann, J. and Fischer, J., 1994. Simulation studies on mixtures of dipolar with nonpolar linear molecules. I. Liquid/liquid phase separation. Fluid Phase Equilibria 99: 35-47.
    • (1994) Fluid Phase Equilibria , vol.99 , pp. 35-47
    • Müller, A.1    Winkelmann, J.2    Fischer, J.3
  • 23
    • 25344435086 scopus 로고
    • The BACKONE family of equations of state. I: Construction and application to nonpolar and polar fluids
    • in press
    • Müller, A., Winkelmann, J. and Fischer, J., 1995. The BACKONE family of equations of state. I: Construction and application to nonpolar and polar fluids. AIChE J., in press.
    • (1995) AIChE J.
    • Müller, A.1    Winkelmann, J.2    Fischer, J.3
  • 24
    • 0006412702 scopus 로고
    • The statistical mechanics of assemblies of axially symmetric molecules
    • Pople, S., 1954. The statistical mechanics of assemblies of axially symmetric molecules. Proc. Roy. Soc., A221: 498-507.
    • (1954) Proc. Roy. Soc. , vol.A221 , pp. 498-507
    • Pople, S.1
  • 25
    • 0039839563 scopus 로고
    • The equilibrium properties of assemblies of non-spherical molecules
    • Rowlinson, S., 1954. The equilibrium properties of assemblies of non-spherical molecules. Trans. Faraday Soc., 50: 647-656.
    • (1954) Trans. Faraday Soc. , vol.50 , pp. 647-656
    • Rowlinson, S.1
  • 26
    • 0026825028 scopus 로고
    • Construction and application of physically based equations of state. II. The dipolar and quadrupolar contributions to the Helmholtz energy
    • Saager, B. and Fischer, J., 1992. Construction and application of physically based equations of state. II. The dipolar and quadrupolar contributions to the Helmholtz energy. Fluid Phase Equilibria, 72: 67-88.
    • (1992) Fluid Phase Equilibria , vol.72 , pp. 67-88
    • Saager, B.1    Fischer, J.2
  • 27
    • 0028380805 scopus 로고
    • Construction and application of physically based equations of state. III. Correlative and predictive application to the refrigerants R22 and R152a
    • Saager, B. and Fischer, J., 1994. Construction and application of physically based equations of state. III. Correlative and predictive application to the refrigerants R22 and R152a. Fluid Phase Equilibria, 93: 101-140.
    • (1994) Fluid Phase Equilibria , vol.93 , pp. 101-140
    • Saager, B.1    Fischer, J.2
  • 28
    • 84963255011 scopus 로고
    • Reaction field simulations of monoatomic and diatomic dipolar fluids
    • Saager, B., Fischer, J. and Neumann, M., 1991. Reaction field simulations of monoatomic and diatomic dipolar fluids. Mol. Sim., 6: 27-49.
    • (1991) Mol. Sim. , vol.6 , pp. 27-49
    • Saager, B.1    Fischer, J.2    Neumann, M.3
  • 30
    • 0011428493 scopus 로고
    • Monte Carlo calculations of thermodynamic properties of binary mixtures of Lennard-Jones (12-6) liquids
    • Singer, J.V.L. and Singer, K., 1972. Monte Carlo calculations of thermodynamic properties of binary mixtures of Lennard-Jones (12-6) liquids. Mol. Phys., 24: 357-390.
    • (1972) Mol. Phys. , vol.24 , pp. 357-390
    • Singer, J.V.L.1    Singer, K.2
  • 32
    • 0001388813 scopus 로고
    • Thermodynamic perturbation theory for simple polar fluids, I
    • Stell, G., Rasaiah, J.C. and Narang, H., 1972. Thermodynamic perturbation theory for simple polar fluids, I. Mol. Phys., 23: 393-406.
    • (1972) Mol. Phys. , vol.23 , pp. 393-406
    • Stell, G.1    Rasaiah, J.C.2    Narang, H.3
  • 33
    • 0017996050 scopus 로고
    • Thermodynamics of polyatomic fluid mixtures. II
    • Twu, C.H. and Gubbins, K.E., 1978. Thermodynamics of polyatomic fluid mixtures. II. Chem. Eng. Sci., 33: 879-887.
    • (1978) Chem. Eng. Sci. , vol.33 , pp. 879-887
    • Twu, C.H.1    Gubbins, K.E.2
  • 34
    • 0005952099 scopus 로고
    • Vapour-liquid equilibria of Stockmayer fluids: Computer simulations and perturbation theory
    • van Leeuwen, M.E., Smit, B. and Hendriks, E.M., 1993. Vapour-liquid equilibria of Stockmayer fluids: Computer simulations and perturbation theory. Mol. Phys., 78: 271-283.
    • (1993) Mol. Phys. , vol.78 , pp. 271-283
    • Van Leeuwen, M.E.1    Smit, B.2    Hendriks, E.M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.