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Volumn 116, Issue 1-2, 1996, Pages 282-288

Molecular dynamics simulation of infinitely dilute solutions of benzene in supercritical CO2

Author keywords

[No Author keywords available]

Indexed keywords

BINARY MIXTURES; CARBON DIOXIDE; COMPUTER SIMULATION; DIFFUSION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULES; ORGANIC SOLVENTS; PHYSICAL PROPERTIES;

EID: 30244465045     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/0378-3812(95)02897-8     Document Type: Article
Times cited : (32)

References (13)
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    • (1993) J.Chem.Eng.Data , vol.38 , pp. 344-349
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  • 2
    • 30244441464 scopus 로고
    • A molecular dynamics study of the influence of elongation and quadrupole moment upon some thermodynamic and transport properties of linear hetronuclear triatomic fluids
    • Chialvo, A.A., Debenedetti, P.G., 1989, A Molecular Dynamics Study of the Influence of Elongation and Quadrupole Moment upon Some Thermodynamic and Transport Properties of Linear Hetronuclear Triatomic Fluids. J.Chem.Phys., 91, 7818-7830
    • (1989) J.Chem.Phys. , vol.91 , pp. 7818-7830
    • Chialvo, A.A.1    Debenedetti, P.G.2
  • 3
    • 0026867324 scopus 로고
    • Molecular dynamics study of solute-solute microstructure in attractive and repulsive supercritical mixtures
    • Chialvo, A.A., Debenedetti, P.G., 1992, Molecular Dynamics Study of Solute-Solute Microstructure in Attractive and Repulsive Supercritical Mixtures. I&EC Res., 31, 1391-1397
    • (1992) I&EC Res. , vol.31 , pp. 1391-1397
    • Chialvo, A.A.1    Debenedetti, P.G.2
  • 4
    • 0028495336 scopus 로고
    • Solute-induced effects on the structure and thermodynamics of inifinitely dilute mixtures
    • Chialvo, A.A., Cummings, P.T., 1994. Solute-Induced Effects on the Structure and Thermodynamics of Inifinitely Dilute Mixtures. AIChE J., 40, 1558-1573
    • (1994) AIChE J. , vol.40 , pp. 1558-1573
    • Chialvo, A.A.1    Cummings, P.T.2
  • 5
    • 84947409756 scopus 로고
    • Singularity free algorithm for molecular dynamics simulation of rigid polyatomcs
    • Evans, D.J., Murad, S., 1977. Singularity Free Algorithm for Molecular Dynamics Simulation of Rigid Polyatomcs, Mol. Phys., 34, 327-331
    • (1977) Mol. Phys. , vol.34 , pp. 327-331
    • Evans, D.J.1    Murad, S.2
  • 6
    • 0002470521 scopus 로고
    • Local density augmentation in supercritical solution: A comparison between fluorescence spectroscopy and molecular dynamics results
    • Knutson, B.L., Tomasco, D.L., Eckert, C.A., Debenedetti, P.G., Chialvo, A.A., 1992. Local Density Augmentation in Supercritical Solution: A Comparison Between Fluorescence Spectroscopy and Molecular Dynamics Results. ACS Symp.Ser., 488, 61-72
    • (1992) ACS Symp.Ser. , vol.488 , pp. 61-72
    • Knutson, B.L.1    Tomasco, D.L.2    Eckert, C.A.3    Debenedetti, P.G.4    Chialvo, A.A.5
  • 7
    • 0029273678 scopus 로고
    • Molecular dynamics study on solvent clustering in supercritical fluid solutions based on particle radial kinetic energy
    • Liew, C.C., Inomata, H., Saito, S., 1995. Molecular Dynamics Study on Solvent Clustering in Supercritical Fluid Solutions Based on Particle Radial Kinetic Energy. Fluid Phase Equilibria, 104, 317-329
    • (1995) Fluid Phase Equilibria , vol.104 , pp. 317-329
    • Liew, C.C.1    Inomata, H.2    Saito, S.3
  • 8
    • 0001311032 scopus 로고
    • Computation of transport coefficients of liquid Benzene and cyclohexane using rigid multicenter pair Interaction models
    • Luo, H., Hoheisel, C., 1992. Computation of Transport Coefficients of Liquid Benzene and Cyclohexane Using Rigid Multicenter Pair Interaction Models. J.Chem.Phys., 96, 3173-3176
    • (1992) J.Chem.Phys. , vol.96 , pp. 3173-3176
    • Luo, H.1    Hoheisel, C.2
  • 9
    • 0026821402 scopus 로고
    • Integral equation calculations of the solute chemical potential in a near-critical fluid environment
    • Munoz, M., Chimowitz, E.H., 1992, Integral Equation Calculations of the Solute Chemical Potential in a Near-critical Fluid Environment. Fluid Phase Equilibria, 71, 237-272
    • (1992) Fluid Phase Equilibria , vol.71 , pp. 237-272
    • Munoz, M.1    Chimowitz, E.H.2
  • 10
    • 33751137166 scopus 로고
    • Interaction site models for carbon dioxide
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  • 11
    • 84987446005 scopus 로고
    • Quasicritical behavior of dense-gas solvent-solute clusters at near-infinite dilution
    • O'Brien, J.A., Randolph, T.W., Carlier, C., Ganapathy, S., 1993, Quasicritical Behavior of Dense-Gas Solvent-Solute Clusters at Near-Infinite Dilution. AIChE J., 36, 1061-1071
    • (1993) AIChE J. , vol.36 , pp. 1061-1071
    • O'Brien, J.A.1    Randolph, T.W.2    Carlier, C.3    Ganapathy, S.4
  • 12
    • 36549103706 scopus 로고
    • Solute-solvent interactions in infinitely dilute supercritical mixtures: A molecular dynamics investigation
    • Petsche, I.E., Debenedetti, P.G., 1989. Solute-Solvent Interactions in Infinitely Dilute Supercritical Mixtures: A Molecular Dynamics Investigation., J. Chem. Phys., 91, 7075
    • (1989) J. Chem. Phys. , vol.91 , pp. 7075
    • Petsche, I.E.1    Debenedetti, P.G.2
  • 13
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    • Determination of binary diffusion coefficients of benzene and SOme alkylbenzenes in supercritical CO2 between 308 and 328K in the pressure range 80 to 160 bar with supercritical fluid chromatography(SFC)
    • Swaid, I., Schneider, G.M., 1979. Determination of Binary Diffusion Coefficients of Benzene and SOme Alkylbenzenes in Supercritical CO2 between 308 and 328K in the Pressure Range 80 to 160 bar with Supercritical Fluid Chromatography(SFC). Ber. Bunsenges. Phys. Chem., 83, 969-974
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    • Swaid, I.1    Schneider, G.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.