-
1
-
-
0016437957
-
Statistical thermodynamics of liquid-mixtures-New expression for excess Gibbs energy of partly or completely miscible systems
-
Abrams D.S., and Prausnitz J.M. Statistical thermodynamics of liquid-mixtures-New expression for excess Gibbs energy of partly or completely miscible systems. A.I.Ch.E. Journal 21 (1975) 116-128
-
(1975)
A.I.Ch.E. Journal
, vol.21
, pp. 116-128
-
-
Abrams, D.S.1
Prausnitz, J.M.2
-
2
-
-
76549137284
-
Extension of NRTL equation for representation of group of data of binary equilibria, vapor-liquid, and liquid-liquid
-
Asseline L., and Renon H. Extension of NRTL equation for representation of group of data of binary equilibria, vapor-liquid, and liquid-liquid. Chemical Engineering Science 25 (1970) 1211-1224
-
(1970)
Chemical Engineering Science
, vol.25
, pp. 1211-1224
-
-
Asseline, L.1
Renon, H.2
-
3
-
-
33847666435
-
Multicomponent liquid-liquid equilibria prediction for aromatic extraction systems using COSMO-RS
-
Banerjee T., Sahoo R.K., Rath S.S., Kumar R., and Khanna A. Multicomponent liquid-liquid equilibria prediction for aromatic extraction systems using COSMO-RS. Industrial & Engineering Chemistry Research 46 (2007) 1292-1304
-
(2007)
Industrial & Engineering Chemistry Research
, vol.46
, pp. 1292-1304
-
-
Banerjee, T.1
Sahoo, R.K.2
Rath, S.S.3
Kumar, R.4
Khanna, A.5
-
5
-
-
0026205276
-
The MHV2 model-A UNIFAC-based equation of state model for prediction of gas solubility and vapor-liquid equilibria at low and high pressures
-
Dahl S., Fredenslund A., and Rasmussen P. The MHV2 model-A UNIFAC-based equation of state model for prediction of gas solubility and vapor-liquid equilibria at low and high pressures. Industrial & Engineering Chemistry Research 30 (1991) 1936-1945
-
(1991)
Industrial & Engineering Chemistry Research
, vol.30
, pp. 1936-1945
-
-
Dahl, S.1
Fredenslund, A.2
Rasmussen, P.3
-
7
-
-
0032081038
-
Study of EOS-G(ex) mixing rules for liquid-liquid equilibria
-
Escobedo-Alvarado G.N., and Sandler S.I. Study of EOS-G(ex) mixing rules for liquid-liquid equilibria. A.I.Ch.E. Journal 44 (1998) 1178-1187
-
(1998)
A.I.Ch.E. Journal
, vol.44
, pp. 1178-1187
-
-
Escobedo-Alvarado, G.N.1
Sandler, S.I.2
-
8
-
-
11844255496
-
Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
-
Ferreira O., Macedo E.A., and Bottini S.B. Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds. Fluid Phase Equilibria 227 (2005) 165-176
-
(2005)
Fluid Phase Equilibria
, vol.227
, pp. 165-176
-
-
Ferreira, O.1
Macedo, E.A.2
Bottini, S.B.3
-
9
-
-
0017544770
-
Computerized design of multicomponent distillation-columns using UNIFAC group contribution method for calculation of activity-coefficients
-
Fredenslund A., Gmehling J., Michelsen M.L., Rasmussen P., and Prausnitz J.M. Computerized design of multicomponent distillation-columns using UNIFAC group contribution method for calculation of activity-coefficients. Industrial & Engineering Chemistry Process Design and Development 16 (1977) 450-462
-
(1977)
Industrial & Engineering Chemistry Process Design and Development
, vol.16
, pp. 450-462
-
-
Fredenslund, A.1
Gmehling, J.2
Michelsen, M.L.3
Rasmussen, P.4
Prausnitz, J.M.5
-
10
-
-
34249281602
-
Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols plus ionic liquids
-
Freire M.G., Santos L., Marrucho I.M., and Coutinho J.A.P. Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols plus ionic liquids. Fluid Phase Equilibria 255 (2007) 167-178
-
(2007)
Fluid Phase Equilibria
, vol.255
, pp. 167-178
-
-
Freire, M.G.1
Santos, L.2
Marrucho, I.M.3
Coutinho, J.A.P.4
-
11
-
-
54249108531
-
Evaluation of COSMO-RS for the prediction of LLE and VLE of water and ionic liquids binary systems
-
Freire M.G., Ventura S.P.M., Santos L., Marrucho I.M., and Coutinho J.A.P. Evaluation of COSMO-RS for the prediction of LLE and VLE of water and ionic liquids binary systems. Fluid Phase Equilibria 268 (2008) 74-84
-
(2008)
Fluid Phase Equilibria
, vol.268
, pp. 74-84
-
-
Freire, M.G.1
Ventura, S.P.M.2
Santos, L.3
Marrucho, I.M.4
Coutinho, J.A.P.5
-
12
-
-
0030383384
-
Prediction of vapor-liquid equilibria of associating mixtures with UNIFAC models that include association
-
Fu Y.H., Orbey H., and Sandler S.I. Prediction of vapor-liquid equilibria of associating mixtures with UNIFAC models that include association. Industrial & Engineering Chemistry Research 35 (1996) 4656-4666
-
(1996)
Industrial & Engineering Chemistry Research
, vol.35
, pp. 4656-4666
-
-
Fu, Y.H.1
Orbey, H.2
Sandler, S.I.3
-
13
-
-
0027133251
-
A modified UNIFAC model. 2. Present parameter matrix and results for different thermodynamic properties
-
Gmehling J., Li J.D., and Schiller M. A modified UNIFAC model. 2. Present parameter matrix and results for different thermodynamic properties. Industrial & Engineering Chemistry Research 32 (1993) 178-193
-
(1993)
Industrial & Engineering Chemistry Research
, vol.32
, pp. 178-193
-
-
Gmehling, J.1
Li, J.D.2
Schiller, M.3
-
14
-
-
0032470226
-
A modified UNIFAC (Dortmund) model. 3. Revision and extension
-
Gmehling J., Lohmann J., Jakob A., Li J.D., and Joh R. A modified UNIFAC (Dortmund) model. 3. Revision and extension. Industrial & Engineering Chemistry Research 37 (1998) 4876-4882
-
(1998)
Industrial & Engineering Chemistry Research
, vol.37
, pp. 4876-4882
-
-
Gmehling, J.1
Lohmann, J.2
Jakob, A.3
Li, J.D.4
Joh, R.5
-
15
-
-
14344264157
-
Performance of a conductor-like screening model for real solvents model in comparison to classical group contribution methods
-
Grensemann H., and Gmehling J. Performance of a conductor-like screening model for real solvents model in comparison to classical group contribution methods. Industrial & Engineering Chemistry Research 44 (2005) 1610-1624
-
(2005)
Industrial & Engineering Chemistry Research
, vol.44
, pp. 1610-1624
-
-
Grensemann, H.1
Gmehling, J.2
-
16
-
-
0023434348
-
Prediction of liquid-liquid equilibria with UNIFAC-A critical evaluation
-
Gupte P.A., and Danner R.P. Prediction of liquid-liquid equilibria with UNIFAC-A critical evaluation. Industrial & Engineering Chemistry Research 26 (1987) 2036-2042
-
(1987)
Industrial & Engineering Chemistry Research
, vol.26
, pp. 2036-2042
-
-
Gupte, P.A.1
Danner, R.P.2
-
17
-
-
0026244317
-
Vapor-liquid equilibria by UNIFAC group contribution .5. Revision and extension
-
Hansen H.K., Rasmussen P., Fredenslund A., Schiller M., and Gmehling J. Vapor-liquid equilibria by UNIFAC group contribution .5. Revision and extension. Industrial & Engineering Chemistry Research 30 (1991) 2352-2355
-
(1991)
Industrial & Engineering Chemistry Research
, vol.30
, pp. 2352-2355
-
-
Hansen, H.K.1
Rasmussen, P.2
Fredenslund, A.3
Schiller, M.4
Gmehling, J.5
-
18
-
-
0000306863
-
Infinite dilution activity coefficients of acetone in water-A new experimental method and verification
-
Hartwick R.P., and Howat C.S. Infinite dilution activity coefficients of acetone in water-A new experimental method and verification. Journal of Chemical and Engineering Data 40 (1995) 738-745
-
(1995)
Journal of Chemical and Engineering Data
, vol.40
, pp. 738-745
-
-
Hartwick, R.P.1
Howat, C.S.2
-
19
-
-
49049105871
-
Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations
-
Hsieh C.M., and Lin S.T. Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations. A.I.Ch.E. Journal 54 (2008) 2174-2181
-
(2008)
A.I.Ch.E. Journal
, vol.54
, pp. 2174-2181
-
-
Hsieh, C.M.1
Lin, S.T.2
-
20
-
-
65349191781
-
First principle predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations
-
Hsieh C.M., and Lin S.T. First principle predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations. Industrial & Engineering Chemistry Research 48 (2009) 3197-3205
-
(2009)
Industrial & Engineering Chemistry Research
, vol.48
, pp. 3197-3205
-
-
Hsieh, C.M.1
Lin, S.T.2
-
21
-
-
70049101503
-
Prediction of 1-octanol-water partition coefficient and infinite dilution activity coefficient in water from the PR+COSMOSAC model
-
Hsieh C.M., and Lin S.T. Prediction of 1-octanol-water partition coefficient and infinite dilution activity coefficient in water from the PR+COSMOSAC model. Fluid Phase Equilibria 285 (2009) 8-14
-
(2009)
Fluid Phase Equilibria
, vol.285
, pp. 8-14
-
-
Hsieh, C.M.1
Lin, S.T.2
-
22
-
-
0018544434
-
New mixing rules in simple equations of state for representing vapor-liquid equilibria of strongly non-ideal mixtures
-
Huron M.J., and Vidal J. New mixing rules in simple equations of state for representing vapor-liquid equilibria of strongly non-ideal mixtures. Fluid Phase Equilibria 3 (1979) 255-271
-
(1979)
Fluid Phase Equilibria
, vol.3
, pp. 255-271
-
-
Huron, M.J.1
Vidal, J.2
-
23
-
-
19944377177
-
Tailor-made ionic liquids
-
Jork C., Kristen C., Pieraccini D., Stark A., Chiappe C., Beste Y.A., and Arlt W. Tailor-made ionic liquids. Journal of Chemical Thermodynamics 37 (2005) 537-558
-
(2005)
Journal of Chemical Thermodynamics
, vol.37
, pp. 537-558
-
-
Jork, C.1
Kristen, C.2
Pieraccini, D.3
Stark, A.4
Chiappe, C.5
Beste, Y.A.6
Arlt, W.7
-
24
-
-
33751157086
-
Conductor-like screening model for real solvents-A new approach to the quantitative calculation of solvation phenomena
-
Klamt A. Conductor-like screening model for real solvents-A new approach to the quantitative calculation of solvation phenomena. Journal of Physical Chemistry 99 (1995) 2224-2235
-
(1995)
Journal of Physical Chemistry
, vol.99
, pp. 2224-2235
-
-
Klamt, A.1
-
25
-
-
76549135535
-
-
Elsevier, Boston
-
Klamt A. COSMO-RS (2005), Elsevier, Boston
-
(2005)
COSMO-RS
-
-
Klamt, A.1
-
27
-
-
84961980743
-
COSMO-A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt A., and Schuurmann G. COSMO-A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. Journal of the Chemical Society-Perkin Transactions 2 (1993) 799-805
-
(1993)
Journal of the Chemical Society-Perkin Transactions
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schuurmann, G.2
-
28
-
-
34347329181
-
COSMO-RS modeling on the extraction of stimulant drugs from urine sample by the double actions of supercritical carbon dioxide and ionic liquid
-
Lei Z.G., Chen B.H., and Li C.Y. COSMO-RS modeling on the extraction of stimulant drugs from urine sample by the double actions of supercritical carbon dioxide and ionic liquid. Chemical Engineering Science 62 (2007) 3940-3950
-
(2007)
Chemical Engineering Science
, vol.62
, pp. 3940-3950
-
-
Lei, Z.G.1
Chen, B.H.2
Li, C.Y.3
-
29
-
-
0033622943
-
Liquid-liquid equilibria for mixtures of an alkane plus an aromatic hydrocarbon+1,4-dicyanobutane at 298.15 K
-
Letcher T.M., and Naicker P.K. Liquid-liquid equilibria for mixtures of an alkane plus an aromatic hydrocarbon+1,4-dicyanobutane at 298.15 K. Journal of Chemical and Engineering Data 45 (2000) 104-109
-
(2000)
Journal of Chemical and Engineering Data
, vol.45
, pp. 104-109
-
-
Letcher, T.M.1
Naicker, P.K.2
-
30
-
-
4544279720
-
Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model
-
Lin S.T., Chang J., Wang S., Goddard W.A., and Sandler S.I. Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model. Journal of Physical Chemistry A 108 (2004) 7429-7439
-
(2004)
Journal of Physical Chemistry A
, vol.108
, pp. 7429-7439
-
-
Lin, S.T.1
Chang, J.2
Wang, S.3
Goddard, W.A.4
Sandler, S.I.5
-
31
-
-
84962463450
-
Efficient and accurate solvation energy calculation from polarizable continuum models
-
Lin S.T., and Hsieh C.M. Efficient and accurate solvation energy calculation from polarizable continuum models. Journal of Chemical Physics 125 (2006)
-
(2006)
Journal of Chemical Physics
, vol.125
-
-
Lin, S.T.1
Hsieh, C.M.2
-
33
-
-
67649197347
-
Towards the development of theoretically correct liquid activity coefficient models
-
Lin S.T., Hsieh M.K., Hsieh C.M., and Hsu C.C. Towards the development of theoretically correct liquid activity coefficient models. Journal of Chemical Thermodynamics 41 (2009) 1145-1153
-
(2009)
Journal of Chemical Thermodynamics
, vol.41
, pp. 1145-1153
-
-
Lin, S.T.1
Hsieh, M.K.2
Hsieh, C.M.3
Hsu, C.C.4
-
34
-
-
0037028932
-
A priori phase equilibrium prediction from a segment contribution solvation model
-
Lin S.T., and Sandler S.I. A priori phase equilibrium prediction from a segment contribution solvation model. Industrial & Engineering Chemistry Research 41 (2002) 899-913
-
(2002)
Industrial & Engineering Chemistry Research
, vol.41
, pp. 899-913
-
-
Lin, S.T.1
Sandler, S.I.2
-
36
-
-
0036882587
-
Prediction of liquid-liquid equilibria at high pressure for binary systems using EOS-G(E) models: methanol plus hydrocarbon systems
-
Matsuda H., Kurihara K., Ochi K., and Kojima K. Prediction of liquid-liquid equilibria at high pressure for binary systems using EOS-G(E) models: methanol plus hydrocarbon systems. Fluid Phase Equilibria 203 (2002) 269-284
-
(2002)
Fluid Phase Equilibria
, vol.203
, pp. 269-284
-
-
Matsuda, H.1
Kurihara, K.2
Ochi, K.3
Kojima, K.4
-
37
-
-
0025499090
-
A modified Huron-Vidal mixing rule for cubic equations of state
-
Michelsen M.L. A modified Huron-Vidal mixing rule for cubic equations of state. Fluid Phase Equilibria 60 (1990) 213-219
-
(1990)
Fluid Phase Equilibria
, vol.60
, pp. 213-219
-
-
Michelsen, M.L.1
-
38
-
-
35348954228
-
Performance of COSMO-RS with sigma profiles from different model chemistries
-
Mu T.C., Rarey J., and Gmehling J. Performance of COSMO-RS with sigma profiles from different model chemistries. Industrial & Engineering Chemistry Research 46 (2007) 6612-6629
-
(2007)
Industrial & Engineering Chemistry Research
, vol.46
, pp. 6612-6629
-
-
Mu, T.C.1
Rarey, J.2
Gmehling, J.3
-
39
-
-
41749098616
-
Sigma profile database for predicting solid solubility in pure and mixed solvent mixtures for organic pharmacological compounds with COSMO-based thermodynamic methods
-
Mullins E., Liu Y.A., Ghaderi A., and Fast S.D. Sigma profile database for predicting solid solubility in pure and mixed solvent mixtures for organic pharmacological compounds with COSMO-based thermodynamic methods. Industrial & Engineering Chemistry Research 47 (2008) 1707-1725
-
(2008)
Industrial & Engineering Chemistry Research
, vol.47
, pp. 1707-1725
-
-
Mullins, E.1
Liu, Y.A.2
Ghaderi, A.3
Fast, S.D.4
-
40
-
-
33745629602
-
Sigma-profile database for using COSMO-based thermodynamic methods
-
Mullins E., Oldland R., Liu Y.A., Wang S., Sandler S.I., Chen C.C., Zwolak M., and Seavey K.C. Sigma-profile database for using COSMO-based thermodynamic methods. Industrial & Engineering Chemistry Research 45 (2006) 4389-4415
-
(2006)
Industrial & Engineering Chemistry Research
, vol.45
, pp. 4389-4415
-
-
Mullins, E.1
Oldland, R.2
Liu, Y.A.3
Wang, S.4
Sandler, S.I.5
Chen, C.C.6
Zwolak, M.7
Seavey, K.C.8
-
42
-
-
0002188898
-
A modified UNIFAC model for the calculation of thermodynamic properties of aqueous and non-aqueous solutions containing sugars
-
Peres A.M., and Macedo E.A. A modified UNIFAC model for the calculation of thermodynamic properties of aqueous and non-aqueous solutions containing sugars. Fluid Phase Equilibria 139 (1997) 47-74
-
(1997)
Fluid Phase Equilibria
, vol.139
, pp. 47-74
-
-
Peres, A.M.1
Macedo, E.A.2
-
45
-
-
84984084157
-
Local compositions in thermodynamic excess functions for liquid mixtures
-
Renon H., and Prausnitz J.M. Local compositions in thermodynamic excess functions for liquid mixtures. A.I.Ch.E. Journal 14 (1968) 135-144
-
(1968)
A.I.Ch.E. Journal
, vol.14
, pp. 135-144
-
-
Renon, H.1
Prausnitz, J.M.2
-
49
-
-
0017908037
-
Mixing rules and excess properties in cubic equations of state
-
Vidal J. Mixing rules and excess properties in cubic equations of state. Chemical Engineering Science 33 (1978) 787-791
-
(1978)
Chemical Engineering Science
, vol.33
, pp. 787-791
-
-
Vidal, J.1
-
50
-
-
57749096172
-
Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations
-
Wang S., Lin S.T., Watanasiri S., and Chen C.C. Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations. Fluid Phase Equilibria 276 (2009) 37-45
-
(2009)
Fluid Phase Equilibria
, vol.276
, pp. 37-45
-
-
Wang, S.1
Lin, S.T.2
Watanasiri, S.3
Chen, C.C.4
-
53
-
-
0023383820
-
A modified UNIFAC model. 1. Prediction of VLE, He, and gamma-infinity
-
Weidlich U., and Gmehling J. A modified UNIFAC model. 1. Prediction of VLE, He, and gamma-infinity. Industrial & Engineering Chemistry Research 26 (1987) 1372-1381
-
(1987)
Industrial & Engineering Chemistry Research
, vol.26
, pp. 1372-1381
-
-
Weidlich, U.1
Gmehling, J.2
-
54
-
-
0026906172
-
Equation of state mixing rule for nonideal mixtures using available activity-coefficient model parameters and that allows extrapolation over large ranges of temperature and pressure
-
Wong D.S.H., Orbey H., and Sandler S.I. Equation of state mixing rule for nonideal mixtures using available activity-coefficient model parameters and that allows extrapolation over large ranges of temperature and pressure. Industrial & Engineering Chemistry Research 31 (1992) 2033-2039
-
(1992)
Industrial & Engineering Chemistry Research
, vol.31
, pp. 2033-2039
-
-
Wong, D.S.H.1
Orbey, H.2
Sandler, S.I.3
-
55
-
-
0026867521
-
A theoretically correct mixing rule for cubic equations of state
-
Wong D.S.H., and Sandler S.I. A theoretically correct mixing rule for cubic equations of state. A.I.Ch.E. Journal 38 (1992) 671-680
-
(1992)
A.I.Ch.E. Journal
, vol.38
, pp. 671-680
-
-
Wong, D.S.H.1
Sandler, S.I.2
|