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Volumn 44, Issue 17, 2005, Pages 6883-6887

Prediction of vapor-liquid equilibria data from C-H band shifts of Raman spectra and activity coefficients at infinite dilution in some aqueous systems

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; ACETONITRILE; ALCOHOLS; CARBON; CORRELATION THEORY; HYDROGEN; PARAMETER ESTIMATION; RAMAN SCATTERING; SPECTROSCOPIC ANALYSIS;

EID: 24144480050     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie050078u     Document Type: Article
Times cited : (13)

References (57)
  • 1
    • 33746972579 scopus 로고
    • Vapor-liquid equilibrium. XI. A new expression for the excess free energy of mixing
    • Wilson, G. M. Vapor-Liquid Equilibrium. XI. A New Expression for the Excess Free Energy of Mixing. J. Am. Chem. Soc. 1964, 86, 127.
    • (1964) J. Am. Chem. Soc. , vol.86 , pp. 127
    • Wilson, G.M.1
  • 2
    • 85023654982 scopus 로고
    • Multicomponent equilibria with the Wilson equation
    • Orye, R. V.; Prausnitz, J. M. Multicomponent Equilibria with the Wilson Equation. Ind. Eng. Chem. 1965, 57, 18.
    • (1965) Ind. Eng. Chem. , vol.57 , pp. 18
    • Orye, R.V.1    Prausnitz, J.M.2
  • 3
    • 84984084157 scopus 로고
    • Local compositions in thermodynamic excess functions for liquid mixtures
    • Renon, H.; Prausnitz, J. M. Local Compositions in Thermodynamic Excess Functions for Liquid Mixtures. AIChE J. 1968, 14, 135.
    • (1968) AIChE J. , vol.14 , pp. 135
    • Renon, H.1    Prausnitz, J.M.2
  • 4
    • 0016437957 scopus 로고
    • Statistical thermodynamica of liquid mixtures: A new expression for the excess gibbs energy of partly or completely miscible systems
    • Abrams, D. S.; Prausnitz, J. M. Statistical Thermodynamica of Liquid Mixtures: A New Expression for the Excess Gibbs Energy of Partly or Completely Miscible Systems. AIChE J. 1975, 21, 116.
    • (1975) AIChE J. , vol.21 , pp. 116
    • Abrams, D.S.1    Prausnitz, J.M.2
  • 5
    • 0018024832 scopus 로고
    • On the derivation and extension of UNIQUAC equation
    • Maurer, G.; Prausnitz, J. M. On the Derivation and Extension of UNIQUAC Equation. Fluid Phase Equilib. 1978, 2, 91.
    • (1978) Fluid Phase Equilib. , vol.2 , pp. 91
    • Maurer, G.1    Prausnitz, J.M.2
  • 6
    • 0015145018 scopus 로고
    • Use of infinite dilution activity coefficients with Wilson's equation
    • Schreiber, L. B.; Eckert, C. A. Use of Infinite Dilution Activity Coefficients with Wilson's Equation. Ind. Eng. Chem. Process Des. Dev. 1971, 10, 572.
    • (1971) Ind. Eng. Chem. Process Des. Dev. , vol.10 , pp. 572
    • Schreiber, L.B.1    Eckert, C.A.2
  • 7
    • 0018031231 scopus 로고
    • Optimal representation of binary liquid mixture nonidealities
    • Nicolaides, G. L.; Eckert, C. A. Optimal Representation of Binary Liquid Mixture Nonidealities. Ind. Eng. Chem. Fundam. 1978, 17, 331.
    • (1978) Ind. Eng. Chem. Fundam. , vol.17 , pp. 331
    • Nicolaides, G.L.1    Eckert, C.A.2
  • 8
    • 0019438021 scopus 로고
    • Measurement and application of limiting activity coefficients
    • Eckert, C. A.; Newman, B. A.; Nicolaides, G. L.; Long, T. C. Measurement and Application of Limiting Activity Coefficients. AIChE J. 1981, 27, 33.
    • (1981) AIChE J. , vol.27 , pp. 33
    • Eckert, C.A.1    Newman, B.A.2    Nicolaides, G.L.3    Long, T.C.4
  • 9
    • 0000578935 scopus 로고
    • Infinite-dilution activity coefficients from differential ebulliometry
    • Loblen, G. M.; Prausnitz, J. M. Infinite-Dilution Activity Coefficients from Differential Ebulliometry. Ind. Eng. Chem. Fundam. 1982, 21, 109.
    • (1982) Ind. Eng. Chem. Fundam. , vol.21 , pp. 109
    • Loblen, G.M.1    Prausnitz, J.M.2
  • 11
    • 0029487191 scopus 로고
    • Infinite dilution activity coefficients for various types of systems
    • Bao, J.; Han, S. Infinite Dilution Activity Coefficients for Various Types of Systems. Fluid Phase Equilib. 1995, 112, 307.
    • (1995) Fluid Phase Equilib. , vol.112 , pp. 307
    • Bao, J.1    Han, S.2
  • 12
    • 0035507947 scopus 로고    scopus 로고
    • Hydrogen-bonded pyridine-water complexes studied by density functional theory and Raman spectroscopy
    • Schlucker, S.; Singh, R. K.; Asthana, B. P.; Popp, J.; Kiefer, W. Hydrogen-Bonded Pyridine-Water Complexes Studied by Density Functional Theory and Raman Spectroscopy. J. Phys. Chem. A 2001, 105, 9983.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 9983
    • Schlucker, S.1    Singh, R.K.2    Asthana, B.P.3    Popp, J.4    Kiefer, W.5
  • 13
    • 6944219773 scopus 로고    scopus 로고
    • In vitro polarization-resolved resonance Raman studies of the interaction of hematin with the antimalarial drug Chloroquine
    • Frosch, T.; Küstner, B.; Schlücker, S.; Szeghalmi, A.; Schmitt, M.; Kiefer, W.; Popp, J. In Vitro Polarization-Resolved Resonance Raman Studies of the Interaction of Hematin with the Antimalarial Drug Chloroquine. J. Raman Spectrosc. 2004, 35, 819.
    • (2004) J. Raman Spectrosc. , vol.35 , pp. 819
    • Frosch, T.1    Küstner, B.2    Schlücker, S.3    Szeghalmi, A.4    Schmitt, M.5    Kiefer, W.6    Popp, J.7
  • 14
    • 0035909721 scopus 로고    scopus 로고
    • Raman spectroscopic study of water structure in aqueous nonionic surfactant solutions
    • Marinov, V. S.; Nickolov, Z. S.; Matsuura, H. Raman Spectroscopic Study of Water Structure in Aqueous Nonionic Surfactant Solutions. J. Phys. Chem. B 2001, 105, 9953.
    • (2001) J. Phys. Chem. B , vol.105 , pp. 9953
    • Marinov, V.S.1    Nickolov, Z.S.2    Matsuura, H.3
  • 17
    • 1642326088 scopus 로고    scopus 로고
    • Resonance Raman spectra of electrons solvated in liquid alcohols
    • Tauber, M. J.; Stuart, C. M.; Mathies, R. A. Resonance Raman Spectra of Electrons Solvated in Liquid Alcohols. J. Am. Chem. Soc. 2004, 126, 3414.
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 3414
    • Tauber, M.J.1    Stuart, C.M.2    Mathies, R.A.3
  • 19
    • 0034317323 scopus 로고    scopus 로고
    • Blue-shifting hydrogen bonds
    • Hobza, P.; Havlas, Z. Blue-Shifting Hydrogen Bonds. Chem. Rev. 2000, 100, 4253.
    • (2000) Chem. Rev. , vol.100 , pp. 4253
    • Hobza, P.1    Havlas, Z.2
  • 20
    • 4043106327 scopus 로고    scopus 로고
    • Is the blue shift of C-H vibration in DMF-water mixture mainly caused by C-H⋯O interaction?
    • Xu, Z.; Li, H.; Wang, C.; Wu, T.; Han, S. Is the Blue shift of C-H Vibration in DMF-Water Mixture Mainly Caused by C-H⋯O Interaction? Chem. Phys. Lett. 2004, 394, 405.
    • (2004) Chem. Phys. Lett. , vol.394 , pp. 405
    • Xu, Z.1    Li, H.2    Wang, C.3    Wu, T.4    Han, S.5
  • 21
    • 1942518418 scopus 로고    scopus 로고
    • Structures and interactions in N-methlacetamide-water mixtures studied by IR spectra and density functional theory
    • Zhang, R.; Li, H.; Lei, Y.; Han, S. Structures and Interactions in N-Methlacetamide-Water Mixtures Studied by IR Spectra and Density Functional Theory. J. Mol. Struct. 2004, 693, 17.
    • (2004) J. Mol. Struct. , vol.693 , pp. 17
    • Zhang, R.1    Li, H.2    Lei, Y.3    Han, S.4
  • 22
    • 4344580703 scopus 로고    scopus 로고
    • Different weak C-H⋯O contacts in N-methylacetamide-water system: Molecular dynamics simulations and NMR experimental study
    • Zhang, R.; Li, H.; Lei, Y.; Han, S. Different Weak C-H⋯O Contacts in N-Methylacetamide-Water System: Molecular Dynamics Simulations and NMR Experimental Study. J. Phys. Chem. B 2004, 108, 12596.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 12596
    • Zhang, R.1    Li, H.2    Lei, Y.3    Han, S.4
  • 23
    • 0142217460 scopus 로고    scopus 로고
    • An all-atom simulation study on intermolecular interaction of DMSO-water system
    • Lei, Y.; Li, H.; Han, S. An All-Atom Simulation Study on Intermolecular Interaction of DMSO-Water System. Chem. Phys. Lett. 2003, 380, 542.
    • (2003) Chem. Phys. Lett. , vol.380 , pp. 542
    • Lei, Y.1    Li, H.2    Han, S.3
  • 24
    • 0033552238 scopus 로고    scopus 로고
    • Fundamental properties of the CH⋯O interaction: Is it a true hydrogen bond?
    • Gu, Y.; Kar, T.; Scheiner, S. Fundamental Properties of the CH⋯O Interaction: Is It a True Hydrogen Bond? J. Am. Chem. Soc. 1999, 121, 9411.
    • (1999) J. Am. Chem. Soc. , vol.121 , pp. 9411
    • Gu, Y.1    Kar, T.2    Scheiner, S.3
  • 25
    • 0037035204 scopus 로고    scopus 로고
    • Red- Versus blue-shifting hydrogen bonds: Are there fundamental distinctions?
    • Scheiner, S.; Kar, T. Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions? J. Phys. Chem. A 2002, 106, 1784.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 1784
    • Scheiner, S.1    Kar, T.2
  • 26
    • 0011318533 scopus 로고
    • Behavior of ethanol in various binary solutions: Difference Raman spectroscopy on the C-H stretching vibrations
    • Kamogawa, K.; Kaminaka, S.; Kitagawa, T. Behavior of Ethanol in Various Binary Solutions: Difference Raman Spectroscopy on the C-H Stretching Vibrations. J. Phys. Chem. 1987, 91, 222.
    • (1987) J. Phys. Chem. , vol.91 , pp. 222
    • Kamogawa, K.1    Kaminaka, S.2    Kitagawa, T.3
  • 27
    • 0040968195 scopus 로고
    • Solute/solvent and solvent/ solvent interactions in methanol solutions: Quantitative separation by Raman difference spectroscopy
    • Kamogawa, K.; Kitagawa, T. Solute/Solvent and Solvent/ Solvent Interactions in Methanol Solutions: Quantitative Separation by Raman Difference Spectroscopy. J. Phys. Chem. 1985, 89, 1531.
    • (1985) J. Phys. Chem. , vol.89 , pp. 1531
    • Kamogawa, K.1    Kitagawa, T.2
  • 28
    • 0001492332 scopus 로고
    • Raman difference spectroscopy of the C-H stretching vibrations: Frequency shifts and excess quantities for acetone/water and acetonitile/water solutions
    • Kamogawa, K.; Kitagawa, T. Raman Difference Spectroscopy of the C-H Stretching Vibrations: Frequency Shifts and Excess Quantities for Acetone/Water and Acetonitile/Water Solutions. J. Phys. Chem. 1986, 90, 1077.
    • (1986) J. Phys. Chem. , vol.90 , pp. 1077
    • Kamogawa, K.1    Kitagawa, T.2
  • 30
    • 0343787492 scopus 로고
    • Evidence for direct intermolecular interactions as an origin of the hydration shifts of the C-H stretching vibrations: 1,4-dioxane/water system
    • Kamogawa, K.; Kitagawa, T. Evidence for Direct Intermolecular Interactions as An Origin of the Hydration Shifts of the C-H Stretching Vibrations: 1,4-Dioxane/Water System. Chem. Phys. Lett. 1991, 179, 271.
    • (1991) Chem. Phys. Lett. , vol.179 , pp. 271
    • Kamogawa, K.1    Kitagawa, T.2
  • 32
    • 17644377290 scopus 로고    scopus 로고
    • 1H NMR and activity coefficients at infinite dilution
    • 1H NMR and Activity Coefficients at Infinite Dilution. Chem. Eng. Sci. 2005, 60, 3621.
    • (2005) Chem. Eng. Sci. , vol.60 , pp. 3621
    • Xu, Y.1    Li, H.2    Wang, C.3    Han, S.4
  • 36
    • 0023994826 scopus 로고
    • Solvatochromic behavior of binary supercritical fluids: The carbon dioxide/2-propanol system
    • Yonker, C. R.; Smith, R. D. Solvatochromic Behavior of Binary Supercritical Fluids: The Carbon Dioxide/2-Propanol System. J. Phys. Chem. 1988, 92, 2374.
    • (1988) J. Phys. Chem. , vol.92 , pp. 2374
    • Yonker, C.R.1    Smith, R.D.2
  • 37
    • 0000041381 scopus 로고
    • Preferential solvation of a dipolar solute in mixed binary solvent: A study of UV-visible spectroscopy
    • Chatterjee, P.; Bagchi, S. Preferential Solvation of a Dipolar Solute in Mixed Binary Solvent: A Study of UV-Visible Spectroscopy. J. Phys. Chem. 1991, 95, 3311.
    • (1991) J. Phys. Chem. , vol.95 , pp. 3311
    • Chatterjee, P.1    Bagchi, S.2
  • 39
    • 0025890922 scopus 로고
    • Measurement of limiting activity coefficients for aqueous system by differential ebulliometry
    • Bergmann, D. L.; Eckert, C. A. Measurement of Limiting Activity Coefficients for Aqueous System by Differential Ebulliometry. Fluid Phase Equilib. 1991, 63, 141.
    • (1991) Fluid Phase Equilib. , vol.63 , pp. 141
    • Bergmann, D.L.1    Eckert, C.A.2
  • 40
    • 0000306863 scopus 로고
    • Infinite dilution activity coefficients of acetone in water. A new experimental method and verification
    • Hartwick, R. P.; Houwat, C. S. Infinite Dilution Activity Coefficients of Acetone in Water. A New Experimental Method and Verification. J. Chem. Eng. Data 1995, 40, 738.
    • (1995) J. Chem. Eng. Data , vol.40 , pp. 738
    • Hartwick, R.P.1    Houwat, C.S.2
  • 41
    • 0002797995 scopus 로고
    • Activity coefficient at very low concentration for organic solute in water determined by an automatic chromatographic method
    • Mash, C. J.; Pemberton, R. C. Activity Coefficient at Very Low Concentration for Organic Solute in Water Determined by an Automatic Chromatographic Method. NPL Rep. Chem. (U.K., Nat. Phys. Lab., Div. Chem. Stand.) 1980, 111, 28.
    • (1980) NPL Rep. Chem. (U.K., Nat. Phys. Lab., Div. Chem. Stand.) , vol.111 , pp. 28
    • Mash, C.J.1    Pemberton, R.C.2
  • 42
    • 33947552722 scopus 로고
    • Vapor-pressure relations in mixtures of two liquids, I
    • Taylor, A. E. Vapor-Pressure Relations in Mixtures of Two Liquids, I. J. Phys. Chem. 1900, 4, 290.
    • (1900) J. Phys. Chem. , vol.4 , pp. 290
    • Taylor, A.E.1
  • 43
    • 0001574554 scopus 로고
    • Isother vapor-liquid equilibria for the binary system acetone-water by the total pressure method
    • Rhim, J. N.; Park, S. S.; Lee, H. O. Isother Vapor-Liquid Equilibria for the Binary System Acetone-Water by the Total Pressure Method. Hwahak Konghak (Korean) 1974; 12, 179.
    • (1974) Hwahak Konghak (Korean) , vol.12 , pp. 179
    • Rhim, J.N.1    Park, S.S.2    Lee, H.O.3
  • 44
    • 0017895914 scopus 로고
    • Thermodynamic group contribution for hydroxyl, amino, and methylene groups
    • Rytting, J. H.; Huston, L. P.; Higuchi, T. Thermodynamic Group Contribution for Hydroxyl, Amino, and Methylene Groups. J. Pharm. Sci. 1978, 67, 615.
    • (1978) J. Pharm. Sci. , vol.67 , pp. 615
    • Rytting, J.H.1    Huston, L.P.2    Higuchi, T.3
  • 45
    • 1942481329 scopus 로고
    • Liquid-liquid-vapor isothermal equilibrium in a nitromethane-isopropyl alcohol-water system
    • Sazonov, V. P. Liquid-Liquid-Vapor Isothermal Equilibrium in a Nitromethane-Isopropyl Alcohol-Water System. Zh. Prikl. Khim. 1986, 59, 1451.
    • (1986) Zh. Prikl. Khim. , vol.59 , pp. 1451
    • Sazonov, V.P.1
  • 46
    • 0024070732 scopus 로고
    • Vapor-liquid equilibria of 2-propanol + water + N,N-dimethylformamide
    • Wu, H. S.; Hagewiesche, D.; Sandler, S. I. Vapor-Liquid Equilibria of 2-Propanol + Water + N,N-Dimethylformamide. Fluid Phase Equilib. 1988, 43, 77.
    • (1988) Fluid Phase Equilib. , vol.43 , pp. 77
    • Wu, H.S.1    Hagewiesche, D.2    Sandler, S.I.3
  • 47
    • 0002049911 scopus 로고
    • (Vapour + Liquid) equilibria of (N,N-dimethylformamide + water + propan-1-ol) at the temperature 313.15 K
    • Zielkiewicz, J.; Konitz, A. (Vapour + Liquid) Equilibria of (N,N-Dimethylformamide + Water + propan-1-ol) at the Temperature 313.15 K. J. Chem. Thermodyn. 1991, 23, 59.
    • (1991) J. Chem. Thermodyn. , vol.23 , pp. 59
    • Zielkiewicz, J.1    Konitz, A.2
  • 48
    • 33645625047 scopus 로고
    • ∞) Using Molecular Beams. U.S. Patent 4214158
    • ∞) Using Molecular Beams. U.S. Patent 4214158, 1980.
    • (1980)
    • Schmidt, T.W.1
  • 49
    • 0000668799 scopus 로고
    • Experimental reexamination of selected partition coefficients from Rohrschneider's data set
    • Park, J. H.; Hussam, A.; Couasnon, P.; Fritz, D.; Carr, P. W. Experimental Reexamination of Selected Partition Coefficients from Rohrschneider's Data Set. Anal. Chem. 1987, 59, 1970.
    • (1987) Anal. Chem. , vol.59 , pp. 1970
    • Park, J.H.1    Hussam, A.2    Couasnon, P.3    Fritz, D.4    Carr, P.W.5
  • 50
    • 0012850632 scopus 로고
    • Vapour pressure study of deuterium exchange reactions in water-ethanol system: Equilibrium constant determination
    • Phutela, R. C.; Kooner, Z. S.; Fenby, D. V. Vapour Pressure Study of Deuterium Exchange Reactions in Water-Ethanol System: Equilibrium Constant Determination. Aust. J. Chem. 1979, 32, 2353.
    • (1979) Aust. J. Chem. , vol.32 , pp. 2353
    • Phutela, R.C.1    Kooner, Z.S.2    Fenby, D.V.3
  • 51
    • 0026204396 scopus 로고
    • Measurement of limiting activity coefficients using non-steady-state gas chromatography
    • Landau, I.; Belfer, A. J.; Locke, D. C. Measurement of Limiting Activity Coefficients Using Non-Steady-State Gas Chromatography. Ind. Eng. Chem. Res. 1991, 30, 1900.
    • (1991) Ind. Eng. Chem. Res. , vol.30 , pp. 1900
    • Landau, I.1    Belfer, A.J.2    Locke, D.C.3
  • 52
    • 33845471188 scopus 로고
    • Infinite dilution activity'coefficients of n-alcqhols as a function of dextrin concentration in water-dextrin systems
    • Lebert, A.; Richon, D. Infinite Dilution Activity'Coefficients of n-Alcqhols as a Function of Dextrin Concentration in Water-Dextrin Systems J. Agric. Food Chem. 1984, 32, 1156.
    • (1984) J. Agric. Food Chem. , vol.32 , pp. 1156
    • Lebert, A.1    Richon, D.2
  • 53
    • 0002258022 scopus 로고
    • Determination of the equilibrium constants of water-methanol deuterium exchange reaction from vapor pressure measurements
    • Kooner, Z. S.; Phutela, R. C.; Fenby, D. V. Determination of the Equilibrium Constants of Water-Methanol Deuterium Exchange Reaction from Vapor Pressure Measurements. Aust. J. Chem. 1980, 33, 9.
    • (1980) Aust. J. Chem. , vol.33 , pp. 9
    • Kooner, Z.S.1    Phutela, R.C.2    Fenby, D.V.3
  • 55
    • 84987401147 scopus 로고
    • A dew point technique for limiting activity coefficients in nonionic solutions
    • Trampe, D. B.; Eckert, C. A. A Dew Point Technique for Limiting Activity Coefficients in Nonionic Solutions. AIChE J. 1993, 39, 1045.
    • (1993) AIChE J. , vol.39 , pp. 1045
    • Trampe, D.B.1    Eckert, C.A.2
  • 56
    • 0018456809 scopus 로고
    • Salt effect on vapour-liquid equilibrium in the dimethylsulphoxide-water- 0.9 m NaClO/sub4/system at 298.15 K
    • Taraszewska, J.; Klon-Palczewska, M.; Wyrzykowska-Stankeiwicz, D. Salt Effect on Vapour-Liquid Equilibrium in the Dimethylsulphoxide-Water-0.9 m NaClO/sub4/System at 298.15 K. Fluid Phase Equilib. 1979, 3, 13.
    • (1979) Fluid Phase Equilib. , vol.3 , pp. 13
    • Taraszewska, J.1    Klon-Palczewska, M.2    Wyrzykowska-Stankeiwicz, D.3
  • 57
    • 0001636058 scopus 로고
    • Vapour pressures and activity coefficients of (acetonitrile + water) at 308.15 K
    • French, H. T. Vapour Pressures and Activity Coefficients of (Acetonitrile + Water) at 308.15 K. J. Chem. Thermodyn. 1987, 19, 1155.
    • (1987) J. Chem. Thermodyn. , vol.19 , pp. 1155
    • French, H.T.1


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