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Volumn 48, Issue 5, 2009, Pages 2678-2690

Experimental thermodynamic properties of 1-butyl-2-methylpyridinium tetrafluoroborate [b2mpy][BF4] with water and with alkan-1-ol and their interpretation with the COSMO-RS methodology

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; IONIC LIQUIDS; ISOMERS; QUANTUM CHEMISTRY; THERMODYNAMIC PROPERTIES;

EID: 65349115433     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie8009878     Document Type: Article
Times cited : (68)

References (29)
  • 1
    • 36849067952 scopus 로고    scopus 로고
    • Thermodynamic properties of 1-butyl-3-methylpyridinium tetrafluoroborate and its mixtures with water and alkanols
    • Ortega, J.; Vreekamp, R.; Marrero, E.; Penco, E. Thermodynamic properties of 1-butyl-3-methylpyridinium tetrafluoroborate and its mixtures with water and alkanols. J. Chem. Eng. Data 2007, 52, 2269-2276.
    • (2007) J. Chem. Eng. Data , vol.52 , pp. 2269-2276
    • Ortega, J.1    Vreekamp, R.2    Marrero, E.3    Penco, E.4
  • 2
    • 43849100631 scopus 로고    scopus 로고
    • Mixing thermodynamicpropertiesof1-butyl-4-methylpyridiniumtetrafluoroborate[b4mpy][BF4] with water and with an alkan-1-ol (methanol to pentanol)
    • Ortega, J.; Vreekamp, R.; Penco, E.; Marrero, E. Mixing thermodynamicpropertiesof1-butyl-4-methylpyridiniumtetrafluoroborate[b4mpy][BF4] with water and with an alkan-1-ol (methanol to pentanol). J. Chem. Thermodyn. 2008, 40, 1087-1094.
    • (2008) J. Chem. Thermodyn , vol.40 , pp. 1087-1094
    • Ortega, J.1    Vreekamp, R.2    Penco, E.3    Marrero, E.4
  • 5
    • 0034725477 scopus 로고    scopus 로고
    • Klamt, A.; Eckert, F. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids. Fluid Phase Equilib. 2000, 172, 43-72.
    • Klamt, A.; Eckert, F. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids. Fluid Phase Equilib. 2000, 172, 43-72.
  • 6
    • 44649159479 scopus 로고    scopus 로고
    • Description of Thermodynamic Behavior of the Systems Formed by Alkyl Ethanoates with 1-Chloroalkanes Using the COSMO-RS Methodology Contributing with New Experimental Information
    • Ortega, J.; Marrero, E.; Palomar, J. Description of Thermodynamic Behavior of the Systems Formed by Alkyl Ethanoates with 1-Chloroalkanes Using the COSMO-RS Methodology Contributing with New Experimental Information. Ind. Eng. Chem. Res. 2008, 47, 3253-3264.
    • (2008) Ind. Eng. Chem. Res , vol.47 , pp. 3253-3264
    • Ortega, J.1    Marrero, E.2    Palomar, J.3
  • 7
    • 0038022728 scopus 로고    scopus 로고
    • Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS
    • Diedenhofen, M.; Eckert, F.; Klamt, A. Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS. J. Chem. Eng. Data 2003, 3, 475-479.
    • (2003) J. Chem. Eng. Data , vol.3 , pp. 475-479
    • Diedenhofen, M.1    Eckert, F.2    Klamt, A.3
  • 8
    • 1942476083 scopus 로고    scopus 로고
    • Room temperature ionic liquids and their mixturessa review
    • Marsh, K. N.; Boxall, J. A.; Lichtenthaler, R. Room temperature ionic liquids and their mixturessa review. Fluid Phase Equilib. 2004, 1, 93-98.
    • (2004) Fluid Phase Equilib , vol.1 , pp. 93-98
    • Marsh, K.N.1    Boxall, J.A.2    Lichtenthaler, R.3
  • 9
    • 33644746353 scopus 로고    scopus 로고
    • Liquid-liquid equilibria in the binary systems (1,3-dimethylimidazolium, or 1-butyl-3-methylimidazolium methyl sulfate + hydrocarbons)
    • Domanska, U.; Pobudkowska, A.; Eckert, F. Liquid-liquid equilibria in the binary systems (1,3-dimethylimidazolium, or 1-butyl-3-methylimidazolium methyl sulfate + hydrocarbons). Green Chem. 2006, 3, 268-276.
    • (2006) Green Chem , vol.3 , pp. 268-276
    • Domanska, U.1    Pobudkowska, A.2    Eckert, F.3
  • 10
    • 33646794005 scopus 로고    scopus 로고
    • (Liquid+liquid) phase equilibria of 1-alkyl-3-methylimidazolium methyl sulfate with alcohols, or ethers, or ketones
    • Domanska, U.; Pobudkowska, A.; Eckert, F. (Liquid+liquid) phase equilibria of 1-alkyl-3-methylimidazolium methyl sulfate with alcohols, or ethers, or ketones. J. Chem. Thermodyn. 2006, 38, 685-695.
    • (2006) J. Chem. Thermodyn , vol.38 , pp. 685-695
    • Domanska, U.1    Pobudkowska, A.2    Eckert, F.3
  • 11
    • 33644689425 scopus 로고    scopus 로고
    • Separation of 1-hexene and n-hexane with ionic liquids
    • Lei, Z.; Arlt, W.; Wasserscheid, P. Separation of 1-hexene and n-hexane with ionic liquids. Fluid Phase Equilib. 2006, 241, 290-299.
    • (2006) Fluid Phase Equilib , vol.241 , pp. 290-299
    • Lei, Z.1    Arlt, W.2    Wasserscheid, P.3
  • 12
    • 33749865159 scopus 로고    scopus 로고
    • Liquid-Liquid Equilibrium in Mixtures of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate and an Alkanol
    • Sahandzhieva, K.; Tuma, D.; Breyer, S.; Pérez-Salado, A.; Maurer, J. Liquid-Liquid Equilibrium in Mixtures of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate and an Alkanol. J. Chem. Eng. Data 2006, 51, 1516-1525.
    • (2006) J. Chem. Eng. Data , vol.51 , pp. 1516-1525
    • Sahandzhieva, K.1    Tuma, D.2    Breyer, S.3    Pérez-Salado, A.4    Maurer, J.5
  • 13
    • 34249281602 scopus 로고    scopus 로고
    • Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols + ionic liquids
    • Freire, M. G.; Santos, L. M. N. B. F.; Marrucho, I. M.; Coutinho, J. A. P. Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols + ionic liquids. Fluid Phase Equilib. 2007, 255, 167-178.
    • (2007) Fluid Phase Equilib , vol.255 , pp. 167-178
    • Freire, M.G.1    Santos, L.M.N.B.F.2    Marrucho, I.M.3    Coutinho, J.A.P.4
  • 14
    • 34548240821 scopus 로고    scopus 로고
    • Selection of entrainers in the 1-hexene/n-hexane system with a limited solubility
    • Lei, Z.; Arlt, W.; Wasserscheid, P. Selection of entrainers in the 1-hexene/n-hexane system with a limited solubility. Fluid Phase Equilib. 2007, 260, 29-35.
    • (2007) Fluid Phase Equilib , vol.260 , pp. 29-35
    • Lei, Z.1    Arlt, W.2    Wasserscheid, P.3
  • 15
    • 33845323784 scopus 로고    scopus 로고
    • Infinite Dilution Activity Coefficients for Trihexyltetradecyl Phosphonium Ionic Liquids: Measurements and COSMORS Prediction
    • Banerjee, T.; Khanna, A. Infinite Dilution Activity Coefficients for Trihexyltetradecyl Phosphonium Ionic Liquids: Measurements and COSMORS Prediction. J. Chem. Eng. Data 2006, 51, 2170-2177.
    • (2006) J. Chem. Eng. Data , vol.51 , pp. 2170-2177
    • Banerjee, T.1    Khanna, A.2
  • 16
    • 34548651173 scopus 로고    scopus 로고
    • Rodr?́guez, F. Density and Molar Volume Predictions Using COSMO-RS for Ionic Liquids. An Approach to Solvent Design
    • Palomar, J.; Ferro, V. R.; Torrecilla, J. S.; Rodr?́guez, F. Density and Molar Volume Predictions Using COSMO-RS for Ionic Liquids. An Approach to Solvent Design. Ind. Eng. Chem. Res. 2007, 46, 6041-6048.
    • (2007) Ind. Eng. Chem. Res , vol.46 , pp. 6041-6048
    • Palomar, J.1    Ferro, V.R.2    Torrecilla, J.S.3
  • 17
    • 47749152251 scopus 로고    scopus 로고
    • Palomar, J.; Torrecilla, J. S.; Ferro, V. R.; Rodr?́guez, F. Development of an A Priori Ionic Liquid Design Tool. Part I: Integration of a novel COSMO-RS Molecular Descriptor on Neural Networks. Ind. Eng. Chem. Res. 2008, 47, 4523-4532.
    • Palomar, J.; Torrecilla, J. S.; Ferro, V. R.; Rodr?́guez, F. Development of an A Priori Ionic Liquid Design Tool. Part I: Integration of a novel COSMO-RS Molecular Descriptor on Neural Networks. Ind. Eng. Chem. Res. 2008, 47, 4523-4532.
  • 20
    • 0000538815 scopus 로고
    • Analytical molecular surface calculation
    • Connolly, M. L. Analytical molecular surface calculation. J. Appl. Crystallogr. 1983, 16, 548-558.
    • (1983) J. Appl. Crystallogr , vol.16 , pp. 548-558
    • Connolly, M.L.1
  • 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, 431-441.
    • (1963) J. Soc. Ind. Appl. Math , vol.11 , pp. 431-441
    • Marquardt, D.W.1
  • 22
    • 65349084177 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, O, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keith, T, Al-Laham, M. A, Peng, C. Y, Nanayakkara, A, Challacombe, M, Gill, P. M. W
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, O.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
  • 23
    • 65349158103 scopus 로고    scopus 로고
    • GmbH&CoKG, COSMOtherm C2.1 Release 01.06; Leverkusen, Germany, 2003;
    • GmbH&CoKG, COSMOtherm C2.1 Release 01.06; Leverkusen, Germany, 2003; http://www.cosmologic.de.
  • 24
    • 7244238983 scopus 로고    scopus 로고
    • Rebelo, L. P. N.; Najdanovic-Visak, V.; Visak, Z. P.; Nunes da Ponte, M.; Szydlowski, J.; Cerdeiriña, C. A.; Troncoso, J.; Roman?́, L.; Esperança, J. M. S. S.; Guedesc, H. J. R.; de Sousad, H.C. A detailed thermodynamic analysis of [C4mim][BF4] + water as a case study to model ionic liquid aqueous solutions. Green Chem. 2004, 6, 369-381.
    • Rebelo, L. P. N.; Najdanovic-Visak, V.; Visak, Z. P.; Nunes da Ponte, M.; Szydlowski, J.; Cerdeiriña, C. A.; Troncoso, J.; Roman?́, L.; Esperança, J. M. S. S.; Guedesc, H. J. R.; de Sousad, H.C. A detailed thermodynamic analysis of [C4mim][BF4] + water as a case study to model ionic liquid aqueous solutions. Green Chem. 2004, 6, 369-381.
  • 25
    • 35348917122 scopus 로고    scopus 로고
    • Determination of partial molar excess enthalpies at infinite dilution for the systems four alcohols + [bmim]PF6 at different temperatures by isothermal titration calorimeter
    • Li, S.; Yan, W.; Dong, H. Determination of partial molar excess enthalpies at infinite dilution for the systems four alcohols + [bmim]PF6 at different temperatures by isothermal titration calorimeter. Fluid Phase Equilib. 2007, 261, 444-448.
    • (2007) Fluid Phase Equilib , vol.261 , pp. 444-448
    • Li, S.1    Yan, W.2    Dong, H.3
  • 26
    • 33845893587 scopus 로고    scopus 로고
    • Activity coefficients at infinite dilution and enthalpies of solution of methanol, 1-butanol, and 1-hexanol in 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide
    • Heintz, A.; Verevkin, S. P.; Lehmann, J. K.; Vasiltsova, T. V.; Ondo, D. Activity coefficients at infinite dilution and enthalpies of solution of methanol, 1-butanol, and 1-hexanol in 1-hexyl-3-methyl-imidazolium bis(trifluoromethyl-sulfonyl) imide. J. Chem. Thermodyn. 2007, 39, 268-274.
    • (2007) J. Chem. Thermodyn , vol.39 , pp. 268-274
    • Heintz, A.1    Verevkin, S.P.2    Lehmann, J.K.3    Vasiltsova, T.V.4    Ondo, D.5
  • 27
    • 33745048793 scopus 로고    scopus 로고
    • Solubility and Excess Molar Properties of 1,3-Dimethylimidazolium Methylsulfate, or 1-Butyl-3-Methylimidazolium Methylsulfate, or 1-Butyl-3-Methylimidazolium Octylsulfate Ionic Liquids with n-Alkanes and Alcohols: Analysis in Terms of the PFP and FBT Models
    • Domanska, U.; Pobudkowska, A.; Wisniewska., A. Solubility and Excess Molar Properties of 1,3-Dimethylimidazolium Methylsulfate, or 1-Butyl-3-Methylimidazolium Methylsulfate, or 1-Butyl-3-Methylimidazolium Octylsulfate Ionic Liquids with n-Alkanes and Alcohols: Analysis in Terms of the PFP and FBT Models. J. Solution Chem. 2006, 35, 311-334.
    • (2006) J. Solution Chem , vol.35 , pp. 311-334
    • Domanska, U.1    Pobudkowska, A.2    Wisniewska, A.3
  • 28
    • 29144507665 scopus 로고    scopus 로고
    • Excess Molar Volumes and Liquid-Liquid Equilibria of the Ionic Liquid 1-Methyl-3-Octyl-Imidazolium Tetrafluoroborate Mixed with Butan-1-ol and Pentan-1-ol
    • Heintz, A.; Klasen, D.; Lehmann, J. K.; Wertz, C. Excess Molar Volumes and Liquid-Liquid Equilibria of the Ionic Liquid 1-Methyl-3-Octyl-Imidazolium Tetrafluoroborate Mixed with Butan-1-ol and Pentan-1-ol. J. Solution Chem. 2005, 34, 1135-1144.
    • (2005) J. Solution Chem , vol.34 , pp. 1135-1144
    • Heintz, A.1    Klasen, D.2    Lehmann, J.K.3    Wertz, C.4
  • 29
    • 33947575535 scopus 로고    scopus 로고
    • Pereiro, A. B.; Rodr?́guez, A. Thermodynamic Properties of Ionic Liquids in Organic Solvents from (293.15 to 303.15) K. J. Chem. Eng. Data 2007, 52, 600-608.
    • Pereiro, A. B.; Rodr?́guez, A. Thermodynamic Properties of Ionic Liquids in Organic Solvents from (293.15 to 303.15) K. J. Chem. Eng. Data 2007, 52, 600-608.


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