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Volumn 55, Issue 11, 2000, Pages 2099-2109

Coordination number models and equations of state for square-well pure and mixture fluids, Part I: Coordination number models and Monte Carlo simulation at high density

Author keywords

Molecular simulation; Statistical thermodynamics; Theory of liquids

Indexed keywords

BINARY MIXTURES; BOUNDARY CONDITIONS; COMPUTER SIMULATION; DENSITY OF LIQUIDS; EQUATIONS OF STATE OF LIQUIDS; MATHEMATICAL MODELS; MICROSTRUCTURE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; STATISTICAL MECHANICS;

EID: 0034078784     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2509(99)00483-2     Document Type: Article
Times cited : (13)

References (28)
  • 1
    • 36849096268 scopus 로고
    • Studies in molecular dynamics. X. Corrections to the augmented van der Waals theory for the square-well fluids
    • Alder B.J., Young D.A., Mark M.A. Studies in molecular dynamics. X. Corrections to the augmented van der Waals theory for the square-well fluids. Journal of Chemical Physics. 56:1972;3013-3029.
    • (1972) Journal of Chemical Physics , vol.56 , pp. 3013-3029
    • Alder, B.J.1    Young, D.A.2    Mark, M.A.3
  • 2
    • 84946450649 scopus 로고
    • Properties of the square-well of variable width IV. Molecular Dynamics test of the van der Waals and Long-range expansion
    • Benavides A.L., Alejandre J., Del Rio F. Properties of the square-well of variable width IV. Molecular Dynamics test of the van der Waals and Long-range expansion. Molecular Physics. 74:1991;321-331.
    • (1991) Molecular Physics , vol.74 , pp. 321-331
    • Benavides, A.L.1    Alejandre, J.2    Del Rio, F.3
  • 3
    • 0029139363 scopus 로고
    • Equation of state for mixtures of square-well molecules: Perturbation and local composition theories for binary mixtures of equal-sized molecules
    • Bokis C.P., Donohue M.D. Equation of state for mixtures of square-well molecules. perturbation and local composition theories for binary mixtures of equal-sized molecules Industrial Engineering Chemistry Research. 34:1995;4553-4561.
    • (1995) Industrial Engineering Chemistry Research , vol.34 , pp. 4553-4561
    • Bokis, C.P.1    Donohue, M.D.2
  • 4
    • 84947635213 scopus 로고
    • A real function representation for the structure of the hard sphere fluid
    • Chang J., Sandler S.I. A real function representation for the structure of the hard sphere fluid. Molecular Physics. 81:1994;735-744.
    • (1994) Molecular Physics , vol.81 , pp. 735-744
    • Chang, J.1    Sandler, S.I.2
  • 5
    • 84947634180 scopus 로고
    • A completely analytic perturbation theory for the square-well fluid of various well width
    • Chang J., Sandler S.I. A completely analytic perturbation theory for the square-well fluid of various well width. Molecular Physics. 81:1994;745-765.
    • (1994) Molecular Physics , vol.81 , pp. 745-765
    • Chang, J.1    Sandler, S.I.2
  • 6
    • 0028496051 scopus 로고
    • A Equation of state for the hard-sphere chain fluid: Theory and Monte Carlo simulation
    • Chang J., Sandler S.I. A Equation of state for the hard-sphere chain fluid. Theory and Monte Carlo simulation Chemical Engineering Science. 49:1994;2777-2791.
    • (1994) Chemical Engineering Science , vol.49 , pp. 2777-2791
    • Chang, J.1    Sandler, S.I.2
  • 7
    • 0001236084 scopus 로고    scopus 로고
    • Fluids and fluid mixtures containing square well diatomics: Equations of state and canonical molecular dynamics simulation
    • Gaulati H.S., Hall C.K. Fluids and fluid mixtures containing square well diatomics. equations of state and canonical molecular dynamics simulation Journal of Chemical Physics. 107:1997;3930-3946.
    • (1997) Journal of Chemical Physics , vol.107 , pp. 3930-3946
    • Gaulati, H.S.1    Hall, C.K.2
  • 8
    • 0000588786 scopus 로고    scopus 로고
    • Generalized Flory equation of state for copolymers modeled as square-well chain fluids
    • Gaulati H.S., Hall C.K. Generalized Flory equation of state for copolymers modeled as square-well chain fluids. Journal of Chemical Physics. 108:1997;7478-7492.
    • (1997) Journal of Chemical Physics , vol.108 , pp. 7478-7492
    • Gaulati, H.S.1    Hall, C.K.2
  • 9
    • 0000620379 scopus 로고    scopus 로고
    • Statistical associating fluid theory for chain molecules with attractive potentials of variable range
    • Gil-Villegas A., Galindo A., Whitehead P.J., Mills S.J., Jackson G. Statistical associating fluid theory for chain molecules with attractive potentials of variable range. Journal of Chemical Physics. 106:1997;4168-4186.
    • (1997) Journal of Chemical Physics , vol.106 , pp. 4168-4186
    • Gil-Villegas, A.1    Galindo, A.2    Whitehead, P.J.3    Mills, S.J.4    Jackson, G.5
  • 10
    • 0025499083 scopus 로고
    • Equations of state for pure and mixture square-well fluids. I: Coordination number models
    • Guo M.X., Wang W., Lu H. Equations of state for pure and mixture square-well fluids. I. Coordination number models Fluid Phase Equilibria. 60:1990;37-45.
    • (1990) Fluid Phase Equilibria , vol.60 , pp. 37-45
    • Guo, M.X.1    Wang, W.2    Lu, H.3
  • 11
    • 0000407898 scopus 로고
    • Equations of state for pure and mixture square-well fluids II: Equations of state
    • Guo M., Wang W., Lu H. Equations of state for pure and mixture square-well fluids II. Equations of state Fluid Phase Equilibria. 60:1990;221-237.
    • (1990) Fluid Phase Equilibria , vol.60 , pp. 221-237
    • Guo, M.1    Wang, W.2    Lu, H.3
  • 12
    • 0000709477 scopus 로고
    • Monte Carlo and hypernetted chain equation of state for the square-well fluid
    • Henderson D., Madden W.G., Fitts D.D. Monte Carlo and hypernetted chain equation of state for the square-well fluid. Journal of Chemical Physics. 64:1976;5026-5034.
    • (1976) Journal of Chemical Physics , vol.64 , pp. 5026-5034
    • Henderson, D.1    Madden, W.G.2    Fitts, D.D.3
  • 13
    • 0000587033 scopus 로고
    • Monte Carlo calculations of the equation of state of the square-well fluid as a function of well width
    • Henderson D., Scalise O.H., Smith W.R. Monte Carlo calculations of the equation of state of the square-well fluid as a function of well width. Journal of Chemical Physics. 72:1980;2431-2438.
    • (1980) Journal of Chemical Physics , vol.72 , pp. 2431-2438
    • Henderson, D.1    Scalise, O.H.2    Smith, W.R.3
  • 14
    • 0000055060 scopus 로고
    • Coordination number and thermodynamics of square-well fluid mixtures
    • Lee R.J., Chao K.C. Coordination number and thermodynamics of square-well fluid mixtures. Molecular Physics. 61:1987;1431-1442.
    • (1987) Molecular Physics , vol.61 , pp. 1431-1442
    • Lee, R.J.1    Chao, K.C.2
  • 15
    • 0022059869 scopus 로고
    • The generalized van der Waals partition function. II. Application to the square-well fluid
    • Lee K.H., Lombardo M., Sandler S.I. The generalized van der Waals partition function. II. Application to the square-well fluid. Fluid Phase Equilibria. 21:1985;177-196.
    • (1985) Fluid Phase Equilibria , vol.21 , pp. 177-196
    • Lee, K.H.1    Lombardo, M.2    Sandler, S.I.3
  • 16
    • 0022440190 scopus 로고
    • The generalized van der Waals partition function. III. Local composition models for a mixture of equal size square-well molecules
    • Lee K.H., Sandler S.I., Patel N.C. The generalized van der Waals partition function. III. Local composition models for a mixture of equal size square-well molecules. Fluid Phase Equilibria. 25:1986;31-49.
    • (1986) Fluid Phase Equilibria , vol.25 , pp. 31-49
    • Lee, K.H.1    Sandler, S.I.2    Patel, N.C.3
  • 17
    • 0023384157 scopus 로고
    • The generalized van der Waals partition function. IV. Local composition models for mixtures of unequal size molecules
    • Lee K.H., Sandler S.I. The generalized van der Waals partition function. IV. Local composition models for mixtures of unequal size molecules. Fluid Phase Equilibria. 34:1987;113-147.
    • (1987) Fluid Phase Equilibria , vol.34 , pp. 113-147
    • Lee, K.H.1    Sandler, S.I.2
  • 18
    • 0024750037 scopus 로고
    • The generalized van der Waals partition function. V. Mixtures of square-well fluids of different sizes and energies
    • Lee K.H., Dodd L.R., Sandler S.I. The generalized van der Waals partition function. V. Mixtures of square-well fluids of different sizes and energies. Fluid Phase Equilibria. 50:1989;53-77.
    • (1989) Fluid Phase Equilibria , vol.50 , pp. 53-77
    • Lee, K.H.1    Dodd, L.R.2    Sandler, S.I.3
  • 22
    • 0002220975 scopus 로고
    • Porosity and microstructure of polydisperse random packing of hard spheres
    • Patlazhan S.A. Porosity and microstructure of polydisperse random packing of hard spheres. Physica A. 198:1993;368-384.
    • (1993) Physica a , vol.198 , pp. 368-384
    • Patlazhan, S.A.1
  • 23
    • 0000183047 scopus 로고
    • An analysis of the square-well fluid behaviors
    • Tang Y.P., Lu B.C.Y. An analysis of the square-well fluid behaviors. Journal of Chemical Physics. 100:1994;6665-6671.
    • (1994) Journal of Chemical Physics , vol.100 , pp. 6665-6671
    • Tang, Y.P.1    Lu, B.C.Y.2
  • 24
    • 0025499807 scopus 로고
    • Monte Carlo simulation of ternary square-well fluid mixtures
    • Wang H., Wang W. Monte Carlo simulation of ternary square-well fluid mixtures. Fluid Phase Equilibria. 60:1990;11-36.
    • (1990) Fluid Phase Equilibria , vol.60 , pp. 11-36
    • Wang, H.1    Wang, W.2
  • 25
    • 0029389899 scopus 로고
    • An equation of state from a new coordination number model
    • Yu M.L., Chen Y.P. An equation of state from a new coordination number model. Fluid Phase Equilibria. 111:1995;37-51.
    • (1995) Fluid Phase Equilibria , vol.111 , pp. 37-51
    • Yu, M.L.1    Chen, Y.P.2
  • 26
    • 0023438769 scopus 로고
    • Porosity calculations of multi-component mixtures of spherical particles
    • Yu A.B., Standish N. Porosity calculations of multi-component mixtures of spherical particles. Powder Technology. 52:1987;233-241.
    • (1987) Powder Technology , vol.52 , pp. 233-241
    • Yu, A.B.1    Standish, N.2
  • 27
    • 0024050380 scopus 로고
    • An analytical parametric theory of the random packing of particles
    • Yu A.B., Standish N. An analytical parametric theory of the random packing of particles. Powder Technology. 55:1988;171-186.
    • (1988) Powder Technology , vol.55 , pp. 171-186
    • Yu, A.B.1    Standish, N.2
  • 28
    • 0026171381 scopus 로고
    • Estimation of the porosity of particle mixtures by a linear-mixture packing model
    • Yu A.B., Standish N. Estimation of the porosity of particle mixtures by a linear-mixture packing model. Industrial and Engineering Chemistry Research. 30:1991;1372-1385.
    • (1991) Industrial and Engineering Chemistry Research , vol.30 , pp. 1372-1385
    • Yu, A.B.1    Standish, N.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.