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Volumn 35, Issue 12, 1996, Pages 4727-4737

Phase Equilibria Calculations with a Modified SAFT Equation of State. 1. Pure Alkanes, Alkanols, and Water

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATICS; EQUATIONS OF STATE OF LIQUIDS; MATHEMATICAL MODELS; PARAFFINS; PERTURBATION TECHNIQUES; POLARIZATION; WATER;

EID: 0030382546     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie9602320     Document Type: Article
Times cited : (184)

References (39)
  • 1
    • 36449001705 scopus 로고
    • Thermodynamic perturbation theory: Lennard-Jones chains
    • Banaszak, M.; Chiew, Y. C.; O'Lenick, R.; Radosz, M. Thermodynamic perturbation theory: Lennard-Jones chains. J. Chem. Phys. 1994, 100, 3803.
    • (1994) J. Chem. Phys. , vol.100 , pp. 3803
    • Banaszak, M.1    Chiew, Y.C.2    O'Lenick, R.3    Radosz, M.4
  • 2
    • 0029379991 scopus 로고
    • Mixing rules for binary Lennard-Jones fluid structures
    • Banaszak, M.; Chiew, Y. C.; Radosz, M. Mixing rules for binary Lennard-Jones fluid structures. Fluid Phase Equilib. 1995, 111, 161.
    • (1995) Fluid Phase Equilib. , vol.111 , pp. 161
    • Banaszak, M.1    Chiew, Y.C.2    Radosz, M.3
  • 3
    • 84927474158 scopus 로고
    • Phase equilibria of associating fluids. Chain molecules with multiple bonding sites
    • Chapman, W. G.; Jackson, G.; Gubbins, K. E. Phase equilibria of associating fluids. Chain molecules with multiple bonding sites. Mol. Phys. 1988, 65, 1057.
    • (1988) Mol. Phys. , vol.65 , pp. 1057
    • Chapman, W.G.1    Jackson, G.2    Gubbins, K.E.3
  • 6
    • 0000529335 scopus 로고
    • Application of the Augmented van der Waals Theory of Fluids I. Pure Fluids
    • Chen, S. S.; Kreglewski, A. Application of the Augmented van der Waals Theory of Fluids I. Pure Fluids. Ber. Bunsen-Ges. Phys. Chem. 1977, 81, 1048.
    • (1977) Ber. Bunsen-Ges. Phys. Chem. , vol.81 , pp. 1048
    • Chen, S.S.1    Kreglewski, A.2
  • 7
    • 85033830629 scopus 로고    scopus 로고
    • SAFT Equation of State with Lennard-Jones Reference Applied to Pure and binary n-Alkane Systems
    • to be submitted for publication
    • Chen, C.; Banaszak, M.; Radosz, M. SAFT Equation of State with Lennard-Jones Reference Applied to Pure and binary n-Alkane Systems. J. Chem. Phys. 1996, to be submitted for publication.
    • (1996) J. Chem. Phys.
    • Chen, C.1    Banaszak, M.2    Radosz, M.3
  • 8
    • 2742551092 scopus 로고
    • Institute of Physical Chemistry, University of Köln, Köln, Germany
    • Deiters, U. K.; et al. The program package THERMO, Institute of Physical Chemistry, University of Köln, Köln, Germany, 1994.
    • (1994) The Program Package THERMO
    • Deiters, U.K.1
  • 10
    • 0028480407 scopus 로고
    • Lattice fluid hydrogen bonding model with a local segment density
    • Gupta, R. B.; Johnston, K. P. Lattice fluid hydrogen bonding model with a local segment density. Fluid Phase Equilib. 1994, 99, 135.
    • (1994) Fluid Phase Equilib. , vol.99 , pp. 135
    • Gupta, R.B.1    Johnston, K.P.2
  • 11
    • 0025517266 scopus 로고
    • Equation of State for Small Large, Polydisperse and Associating Molecules
    • Huang, S. H.; Radosz, M. Equation of State for Small Large, Polydisperse and Associating Molecules. Ind. Eng. Chem. Res. 1990, 29, 2284.
    • (1990) Ind. Eng. Chem. Res. , vol.29 , pp. 2284
    • Huang, S.H.1    Radosz, M.2
  • 12
    • 0026207261 scopus 로고
    • Equation of State for Small Large, Polydisperse and Associating Molecules: Extensions to mixtures
    • Huang, S. H.; Radosz, M. Equation of State for Small Large, Polydisperse and Associating Molecules: Extensions to mixtures. Ind. Eng. Chem. Res. 1991, 30, 1994.
    • (1991) Ind. Eng. Chem. Res. , vol.30 , pp. 1994
    • Huang, S.H.1    Radosz, M.2
  • 13
    • 17544362951 scopus 로고
    • Mixtures of associating spherical and chain molecules
    • Jackson, G.; Gubbins, K. E. Mixtures of associating spherical and chain molecules. Pure Appl. Chem. 1989, 61, 1021.
    • (1989) Pure Appl. Chem. , vol.61 , pp. 1021
    • Jackson, G.1    Gubbins, K.E.2
  • 14
    • 84947141582 scopus 로고
    • Phase equilibria for associating Lennard-Jones fluids from theory and simulation
    • Johnson, J. K.; Gubbins, K. E. Phase equilibria for associating Lennard-Jones fluids from theory and simulation. mol. Phys. 1992, 77, 1033.
    • (1992) Mol. Phys. , vol.77 , pp. 1033
    • Johnson, J.K.1    Gubbins, K.E.2
  • 18
    • 0028501830 scopus 로고
    • The Lennard-Jones fluid: An accurate analytic and theoretically-based equation of state
    • Kolafa, J.; Nezbeda, I. The Lennard-Jones fluid: An accurate analytic and theoretically-based equation of state. Fluid Phase Equilib. 1994, 100, 1.
    • (1994) Fluid Phase Equilib. , vol.100 , pp. 1
    • Kolafa, J.1    Nezbeda, I.2
  • 19
    • 0000873069 scopus 로고
    • A method for the solution of certain non-linear problems in least squares
    • Levenberg, K. A method for the solution of certain non-linear problems in least squares. Q. Appl. Math. 1944, 2, 164.
    • (1944) Q. Appl. Math. , vol.2 , pp. 164
    • Levenberg, K.1
  • 20
    • 36849106010 scopus 로고
    • Equilibrium Thermodynamic Properties of the Mixtures of Hard Spheres
    • Mansoori, G. A.; Carnahan, N. F.; Starling, K. E.; Leland, T. W. Equilibrium Thermodynamic Properties of the Mixtures of Hard Spheres. J. Chem. Phys. 1971, 54, 1523.
    • (1971) J. Chem. Phys. , vol.54 , pp. 1523
    • Mansoori, G.A.1    Carnahan, N.F.2    Starling, K.E.3    Leland, T.W.4
  • 21
    • 0000169232 scopus 로고
    • An algorithm for least-squares estimation of nonlinear parameters
    • Marquardt, D. W. An algorithm for least-squares estimation of nonlinear parameters. J. Soc. Ind. Appl. Math. 1963, 11, 431.
    • (1963) J. Soc. Ind. Appl. Math. , vol.11 , pp. 431
    • Marquardt, D.W.1
  • 22
    • 0029107129 scopus 로고
    • Equation of State for Water from a simplified Intermolecular Potential
    • Müller, E. A.; Gubbins, K. E. Equation of State for Water from a simplified Intermolecular Potential. Ind. Eng. Chem. Res. 1995, 34, 3662.
    • (1995) Ind. Eng. Chem. Res. , vol.34 , pp. 3662
    • Müller, E.A.1    Gubbins, K.E.2
  • 24
    • 84953652246 scopus 로고
    • A Fundamental Equation for Water Covering the range from Melting Line to 1273 K at Pressures up to 25000 MPa
    • Saul, A.; Wagner, W. A Fundamental Equation for Water Covering the range from Melting Line to 1273 K at Pressures up to 25000 MPa. J. Phys. Chem. Ref. Data 1989, 18, 1537.
    • (1989) J. Phys. Chem. Ref. Data , vol.18 , pp. 1537
    • Saul, A.1    Wagner, W.2
  • 25
    • 36549102663 scopus 로고
    • A polarizable model for water using distributed charge sites
    • Sprik, M.; Klein, M. L. A polarizable model for water using distributed charge sites. J. Chem. Phys. 1988, 89, 7556.
    • (1988) J. Chem. Phys. , vol.89 , pp. 7556
    • Sprik, M.1    Klein, M.L.2
  • 26
    • 10844258718 scopus 로고
    • Thermodynamic Perturbation Theory for Simple Polar Fluids
    • Stell, G.; Rasaiah, J. C. Thermodynamic Perturbation Theory for Simple Polar Fluids. Mol. Phys. 1974, 27, 1393.
    • (1974) Mol. Phys. , vol.27 , pp. 1393
    • Stell, G.1    Rasaiah, J.C.2
  • 27
    • 0017995948 scopus 로고
    • Thermodynamics of Polyatomic Fluid Mixtures. I. Theory
    • Twu, C. H.; Gubbins, K. E. Thermodynamics of Polyatomic Fluid Mixtures. I. Theory. Chem. Eng. Sci. 1978a, 33, 863.
    • (1978) Chem. Eng. Sci. , vol.33 , pp. 863
    • Twu, C.H.1    Gubbins, K.E.2
  • 28
    • 0017996050 scopus 로고
    • Thermodynamics of Polyatomic Fluid Mixtures. II. Polar, Quadrupolar and Octopolar Molecules
    • Twu, C. H.; Gubbins, K. E. Thermodynamics of Polyatomic Fluid Mixtures. II. Polar, Quadrupolar and Octopolar Molecules. Chem. Eng. Sci. 1978b, 33, 879.
    • (1978) Chem. Eng. Sci. , vol.33 , pp. 879
    • Twu, C.H.1    Gubbins, K.E.2
  • 30
    • 84915212371 scopus 로고
    • Induction effects in polar-polarizable liquid mixtures. Calculation of thermodynamic properties using the renormalized perturbation theory
    • Venkatasubramanian, V.; Gubbins, K. E.; Gray, C. G.; Joslin, C. G. Induction effects in polar-polarizable liquid mixtures. Calculation of thermodynamic properties using the renormalized perturbation theory. Mol. Phys. 1984, 52, 1411.
    • (1984) Mol. Phys. , vol.52 , pp. 1411
    • Venkatasubramanian, V.1    Gubbins, K.E.2    Gray, C.G.3    Joslin, C.G.4
  • 31
    • 0002303761 scopus 로고
    • The liquid structure and thermodynamic properties of Lennard-Jones spheres with associating sites
    • Walsh, J. M.; Gubbins, K. E. The liquid structure and thermodynamic properties of Lennard-Jones spheres with associating sites. Mol. Phys. 1993, 80, 65.
    • (1993) Mol. Phys. , vol.80 , pp. 65
    • Walsh, J.M.1    Gubbins, K.E.2
  • 32
    • 5244270966 scopus 로고
    • Theory of polar fluids. III
    • Wertheim, M. S. Theory of polar fluids. III. Mol. Phys. 1977, 34, 1109.
    • (1977) Mol. Phys. , vol.34 , pp. 1109
    • Wertheim, M.S.1
  • 33
    • 84943846100 scopus 로고
    • Theory of polar fluids. V. Thermodynamics and thermodynamic perturbation theory
    • Wertheim, M. S. Theory of polar fluids. V. Thermodynamics and thermodynamic perturbation theory. Mol. Phys. 1979, 37, 83.
    • (1979) Mol. Phys. , vol.37 , pp. 83
    • Wertheim, M.S.1
  • 34
    • 0021408850 scopus 로고
    • Fluids with Highly Directional Attractive Forces. I. Statistical Thermodynamics
    • Wertheim, M. S. Fluids with Highly Directional Attractive Forces. I. Statistical Thermodynamics. J. Stat. Phys. 1984a, 35, 19.
    • (1984) J. Stat. Phys. , vol.35 , pp. 19
    • Wertheim, M.S.1
  • 35
    • 0021407359 scopus 로고
    • Fluids with Highly Directional Attractive Forces. II. Thermodynamic Perturbation Theory and Integral Equations
    • Wertheim, M. S. Fluids with Highly Directional Attractive Forces. II. Thermodynamic Perturbation Theory and Integral Equations. J. Stat. Phys. 1984b, 35, 35.
    • (1984) J. Stat. Phys. , vol.35 , pp. 35
    • Wertheim, M.S.1
  • 36
    • 13444285081 scopus 로고
    • Fluids with Highly Directional Attractive Forces. III. Multiple Attraction Sites
    • Wertheim, M. S. Fluids with Highly Directional Attractive Forces. III. Multiple Attraction Sites. J. Stat. Phys. 1986a, 42, 459.
    • (1986) J. Stat. Phys. , vol.42 , pp. 459
    • Wertheim, M.S.1
  • 37
    • 0342653160 scopus 로고
    • Fluids with Highly Directional Attractive Forces. IV. Equilibrium Polymerization
    • Wertheim, M. S. Fluids with Highly Directional Attractive Forces. IV. Equilibrium Polymerization. J. Stat. Phys. 1986b, 42, 477.
    • (1986) J. Stat. Phys. , vol.42 , pp. 477
    • Wertheim, M.S.1
  • 38
    • 0000350011 scopus 로고
    • Fluids of dimerizing hard spheres and fluid mixtures of hard spheres and dispheres
    • Wertheim, M. S. Fluids of dimerizing hard spheres and fluid mixtures of hard spheres and dispheres. J. Chem. Phys. 1986c, 85, 2929.
    • (1986) J. Chem. Phys. , vol.85 , pp. 2929
    • Wertheim, M.S.1
  • 39
    • 0011775424 scopus 로고
    • Thermodynamic perturbation theory of polymerization
    • Wertheim, M. S. Thermodynamic perturbation theory of polymerization. J. Chem. Phys. 1987, 87, 7323.
    • (1987) J. Chem. Phys. , vol.87 , pp. 7323
    • Wertheim, M.S.1


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