QSPR generalization of activity coefficient models for predicting vapor–liquid equilibrium behavior
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[1] G. Pierotti,et al. Activity Coefficients and Molecular Structure , 1959 .
[2] C. Deal,et al. Activity Coefficients and Molecular Structure. Activity Coefficients in Changing Environments-Solutions of Groups , 1962 .
[3] J. Prausnitz,et al. LOCAL COMPOSITIONS IN THERMODYNAMIC EXCESS FUNCTIONS FOR LIQUID MIXTURES , 1968 .
[4] J. S. Rowlinson,et al. Molecular Thermodynamics of Fluid-Phase Equilibria , 1969 .
[5] J. Prausnitz,et al. Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems , 1975 .
[6] J. Gmehling. Vapor-Liquid Equilibrium Data Collection , 1977 .
[7] W. Arlt,et al. Liquid-liquid equilibrium data collection , 1979 .
[8] J. Gaube. J. Gmehling, U. Onken, W. Arlt: Vapor-Liquid-Equilibrium Data Collection, in der Reihe: Chemistry Data Series, Vol. I. Parts 3 + 4 Aldehydes and Ketones Ethers, Dechema, Frankfurt 1979. 624 Seiten. Part 6a Aliphatic Hydrocarbons C4-C6, Dechema, Frankfurt , 1982 .
[9] H. Renon. N R T L: An empirical equation or an inspiring model for fluids mixtures properties? , 1985 .
[10] R. Danner,et al. A data base standard for the evaluation of vapor-liquid-equilibrium models , 1990 .
[11] Jiding Li,et al. A modified UNIFAC model. 2. Present parameter matrix and results for different thermodynamic properties , 1993 .
[12] Status and results of group contribution methods , 1993 .
[13] M. Karelson,et al. QSPR: the correlation and quantitative prediction of chemical and physical properties from structure , 1995 .
[14] Towards the development of a second-order approximation in activity coefficient models based on group contributions , 1996 .
[15] G Schneider,et al. Artificial neural networks for computer-based molecular design. , 1998, Progress in biophysics and molecular biology.
[16] A. Klamt,et al. Refinement and Parametrization of COSMO-RS , 1998 .
[17] A. Sum,et al. Use of ab initio methods to make phase equilibria predictions using activity coefficient models , 1999 .
[19] A. Klamt,et al. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids , 2000 .
[20] Subhash C. Basak,et al. Quantitative Structure-Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural Descriptors , 2001, J. Chem. Inf. Comput. Sci..
[21] Maurizio Fermeglia,et al. Prediction of phase equilibria for binary mixtures by molecular modeling , 2001 .
[22] A. Klamt,et al. Prediction of infinite dilution activity coefficients using COSMO-RS , 2003 .
[23] J. Prausnitz,et al. Thermodynamics of Fluid-Phase Equilibria for Standard Chemical Engineering Operations (Anniversary Article) , 2004 .
[24] R. L. Robinson,et al. SVRC–QSPR model for predicting saturated vapor pressures of pure fluids , 2006 .