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Volumn 106, Issue 50, 2002, Pages 13010-13017

Transport coefficients of xylene isomers

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFUSION; ELECTROSTATICS; HYDRODYNAMICS; MOLECULAR DYNAMICS; VISCOSITY; XYLENE;

EID: 0037137453     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025605r     Document Type: Article
Times cited : (9)

References (26)
  • 1
    • 0009004034 scopus 로고
    • Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions
    • Jorgensen, W.L.; Nguyen, T.B. Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions. J. Comput. Chem. 1993, 14, 195-205.
    • (1993) J. Comput. Chem. , vol.14 , pp. 195-205
    • Jorgensen, W.L.1    Nguyen, T.B.2
  • 2
    • 0000299809 scopus 로고
    • Aromatic-aromatic interactions: Free energy profiles for the benzene dimer in water, chloroform and liquid benzene
    • Jorgensen, W.L.; Severance, D.L. Aromatic-aromatic interactions: Free energy profiles for the benzene dimer in water, chloroform and liquid benzene. J. Am. Chem. Soc. 1990, 112, 4768-4774.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 4768-4774
    • Jorgensen, W.L.1    Severance, D.L.2
  • 3
    • 0001630366 scopus 로고
    • Non-equilibrium molecular dynamics simulations of structured molecules. II. Isomeric effects on the viscosity of models for n-hexane, cyclohexane and benzene
    • Rowley, R.L.; Ely, J.F. Non-equilibrium molecular dynamics simulations of structured molecules. II. Isomeric effects on the viscosity of models for n-hexane, cyclohexane and benzene. Mol. Phys. 1992, 75, 713-730.
    • (1992) Mol. Phys. , vol.75 , pp. 713-730
    • Rowley, R.L.1    Ely, J.F.2
  • 5
    • 33845376931 scopus 로고
    • Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amides
    • Jorgensen, W.L.; Swenson, C.J. Optimized intermolecular potential functions for amides and peptides. Structure and properties of liquid amides. J. Am. Chem. Soc. 1984, 107, 569-578.
    • (1984) J. Am. Chem. Soc. , vol.107 , pp. 569-578
    • Jorgensen, W.L.1    Swenson, C.J.2
  • 6
    • 0001156309 scopus 로고
    • Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds
    • Jorgensen, W.L. Intermolecular potential functions and Monte Carlo simulations for liquid sulfur compounds. J. Phys. Chem. 1986, 90, 6379-6388.
    • (1986) J. Phys. Chem. , vol.90 , pp. 6379-6388
    • Jorgensen, W.L.1
  • 7
    • 84986500406 scopus 로고
    • Monte Carlo simulations of Liquid alkyl ethers with the OPLS potential Functions
    • Briggs, J.M.; Matsui, T.; Jorgensen, W.L. Monte Carlo simulations of Liquid alkyl ethers with the OPLS potential Functions. J. Comput. Chem. 1990, 11, 958-971.
    • (1990) J. Comput. Chem. , vol.11 , pp. 958-971
    • Briggs, J.M.1    Matsui, T.2    Jorgensen, W.L.3
  • 8
    • 84913602953 scopus 로고
    • Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions
    • Jorgensen, W.L.; Laird, E.R.; Nguyen, T.B.; Tirado-Rives, J. Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. J. Comput. Chem. 1993, 14, 206-215.
    • (1993) J. Comput. Chem. , vol.14 , pp. 206-215
    • Jorgensen, W.L.1    Laird, E.R.2    Nguyen, T.B.3    Tirado-Rives, J.4
  • 9
    • 22944467757 scopus 로고
    • Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules
    • Verlet, L. Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 1967, 159, 98-103.
    • (1967) Phys. Rev. , vol.159 , pp. 98-103
    • Verlet, L.1
  • 10
    • 84926811618 scopus 로고
    • Constante pressure dynamics for molecular systems
    • Nosé, S.; Klein, M.L. Constante pressure dynamics for molecular systems. Mol. Phys. 1983, 50, 1055-1076.
    • (1983) Mol. Phys. , vol.50 , pp. 1055-1076
    • Nosé, S.1    Klein, M.L.2
  • 12
    • 0000623669 scopus 로고
    • On the representation of orientation in space
    • Evans, D.J. On the representation of orientation in space. Mol. Phys. 1977, 34, 317-325.
    • (1977) Mol. Phys. , vol.34 , pp. 317-325
    • Evans, D.J.1
  • 13
    • 0001182318 scopus 로고
    • Correlation and prediction of dense fluid transport coefficients. V. Aromatic hydrocarbons
    • Assael, M.J.; Dymond, J.H.; Patterson, P.M. Correlation and prediction of dense fluid transport coefficients. V. Aromatic hydrocarbons. Int. J. Thermophys. 1992, 13, 895-905.
    • (1992) Int. J. Thermophys. , vol.13 , pp. 895-905
    • Assael, M.J.1    Dymond, J.H.2    Patterson, P.M.3
  • 14
    • 0020270319 scopus 로고
    • Viscosity of twelve hydrocarbon liquids in the temperature range 298-348 K at pressures up to 110 MPa
    • Kashiwagi, H.; Makita, T. Viscosity of twelve hydrocarbon liquids in the temperature range 298-348 K at pressures up to 110 MPa. Int. J. Thermophys. 1982, 3, 289-305.
    • (1982) Int. J. Thermophys. , vol.3 , pp. 289-305
    • Kashiwagi, H.1    Makita, T.2
  • 15
    • 0021899478 scopus 로고
    • Transport properties of nonelectrolyte liquid mixture. VI. Viscometric study of binary mixtures of hexafluorobenzene with aromatic hydrocarbons
    • Dymond, J.H.; Robertson, J. Transport properties of nonelectrolyte liquid mixture. VI. Viscometric study of binary mixtures of hexafluorobenzene with aromatic hydrocarbons. Int. J. Thermophys. 1985, 6, 21-41.
    • (1985) Int. J. Thermophys , vol.6 , pp. 21-41
    • Dymond, J.H.1    Robertson, J.2
  • 16
    • 0000476047 scopus 로고
    • Measurements of the viscosity of benzene, toluene and m-xylene at pressure up to 80 MPa
    • Assael, M.J.; Papadaki, M.; Wakeham, W.A. Measurements of the viscosity of benzene, toluene and m-xylene at pressure up to 80 MPa. Int. J. Thermophys. 1991, 12, 449-457.
    • (1991) Int. J. Thermophys. , vol.12 , pp. 449-457
    • Assael, M.J.1    Papadaki, M.2    Wakeham, W.A.3
  • 17
    • 4243303674 scopus 로고
    • Détermination des variations de la viscosité de divers hydrocarbures en fonction de la pression et de la température
    • Thèse de Doctorat, Université de Pau et des Pays de l'Adour
    • Et-Tahir, A. Détermination des variations de la viscosité de divers hydrocarbures en fonction de la pression et de la température. Etude critique de modèles représentatifs. Thèse de Doctorat, Université de Pau et des Pays de l'Adour, 1993.
    • (1993) Etude critique de modèles représentatifs
    • Et-Tahir, A.1
  • 18
    • 0034710408 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 4. United atom description of linear and branched alkenes and alkylbenzenes
    • Wick, C.D.; Martin, M.G.; Siepmann, J.I. Transferable potentials for phase equilibria. 4. United atom description of linear and branched alkenes and alkylbenzenes. J. Phys. Chem. B 2000, 104, 8008-8016.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 8008-8016
    • Wick, C.D.1    Martin, M.G.2    Siepmann, J.I.3
  • 19
    • 36449008463 scopus 로고
    • Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane
    • Dalvis, P.J.; Evans, D.J. Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane. J. Chem. Phys. 1994, 100, 541-547.
    • (1994) J. Chem. Phys. , vol.100 , pp. 541-547
    • Dalvis, P.J.1    Evans, D.J.2
  • 20
    • 0001255762 scopus 로고
    • Dense liquids. II. The effect of density and temperature on viscosity of tetramethylsilane and benzene
    • Parkhurst, H.J.; Jonas, J. Dense liquids. II. The effect of density and temperature on viscosity of tetramethylsilane and benzene. J. Chem. Phys. 1975, 63, 2705-2709.
    • (1975) J. Chem. Phys. , vol.63 , pp. 2705-2709
    • Parkhurst, H.J.1    Jonas, J.2
  • 21
    • 84914077837 scopus 로고
    • Self-diffusion and viscosity of methylcyclohexane in the dense liquid region
    • Jonas, J.D.; Huang, S.G, Self-diffusion and viscosity of methylcyclohexane in the dense liquid region. J. Chem. Phys. 1979, 71, 3996-4000.
    • (1979) J. Chem. Phys. , vol.71 , pp. 3996-4000
    • Jonas, J.D.1    Huang, S.G.2
  • 22
    • 0000239456 scopus 로고
    • Density effect on transport properties in liquid cyclohexane
    • Jonas, J.; Hasha, D.; Huang, S.G. Density effect on transport properties in liquid cyclohexane. J. Phys. Chem. 1980, 84, 109-112.
    • (1980) J. Phys. Chem. , vol.84 , pp. 109-112
    • Jonas, J.1    Hasha, D.2    Huang, S.G.3
  • 23
    • 0001329269 scopus 로고    scopus 로고
    • Further investigation on the validity of Stokes-Einstein behaviour at the molecular level
    • Walser, R.; Hess, B.; Mark, A.E.; van Gunsteren, W.F. Further investigation on the validity of Stokes-Einstein behaviour at the molecular level. Chem. Phys. Lett. 2001, 334, 337-342.
    • (2001) Chem. Phys. Lett. , vol.334 , pp. 337-342
    • Walser, R.1    Hess, B.2    Mark, A.E.3    Van Gunsteren, W.F.4
  • 24
    • 5844292230 scopus 로고    scopus 로고
    • Shear viscosity of model mixtures by nonequilibrium molecular dynamics. II. Effect of dipolar interactions
    • Lee, S.H.; Cummings, P.T. Shear viscosity of model mixtures by nonequilibrium molecular dynamics. II. Effect of dipolar interactions. J. Chem. Phys. 1996, 105, 2044-2055.
    • (1996) J. Chem. Phys. , vol.105 , pp. 2044-2055
    • Lee, S.H.1    Cummings, P.T.2
  • 25
    • 0000772819 scopus 로고    scopus 로고
    • Shear viscosity of polar liquid mixtures via nonequilibrium molecular dynamics: Water, methanol, and acetone
    • Wheeler, D.R.; Rowley, R.L. Shear viscosity of polar liquid mixtures via nonequilibrium molecular dynamics: Water, methanol, and acetone. Mol. Phys. 1998, 94, 555-564.
    • (1998) Mol. Phys. , vol.94 , pp. 555-564
    • Wheeler, D.R.1    Rowley, R.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.