: Publications

Publications

Please find below list of publications associated to different parts of the DDB and the DDB software package. In addition to the literature sources given here, additional references for experimental data can be found on the different DDB pages.

List of Topics:
    Dortmund Data Bank and Integrated Software Package
    Pure Component Property Estimation
    UNIFAC and mod. UNIFAC Group Contribution Estimation of Real Liquid Phase Behavior
    COSMO-RS Type Models
    Electrolyte Models (LIFAC, LIQUAC)
    Ionic Liquids
    Process Synthesis
    Reactive Distillation

Dortmund Data Bank and Integrated Software Package

Quality Assurance in Thermodynamic Databases for Performance Assessment Studies in Waste Disposal	Voigt W., Brendler V., Marsh K., Rarey R., Wanner H., Gaune-Escard M., Cloke P., Vercouter Th., Bastrakov E., Hagemann S.	Journal	Pure Appl.Chem., 79, 5, 883 894 (2007)
The Dortmund Data Bank: A Computerized System for Retrieval, Correlation, and Prediction of Thermodynamic Properties of Mixtures	Onken U., Rarey-Nies J., Gmehling J.	Journal	Int.J.Thermophys., 10, 3, 739 747 (1989)
Die Dortmunder Datenbank. Basis fuer die Weiterentwicklung der UNIFAC-Methode	Gmehling J., Weidlich U.	Journal	Chem.Ing.Tech., 57, 5, 447 449 (1985)

Pure Component Property Estimation

Estimation of pure component properties. Part 4: Estimation of the saturated liquid viscosity of non-electrolyte organic compounds via group contributions and group interactions	Nannoolal Y., Rarey J., Ramjugernath D.	Journal	Fluid Phase Equilib., 281 (2), 97 119 (2009)
Estimation of the vapour pressure of non-electrolyte organic compounds via group contributions and group interactions	Moller B., Rarey J., Ramjugernath D.	Journal	J.Mol.Liq., 143, 1, 52 63 (2008)
Development of an Improved Group Contribution Method for the Prediction of Vapour Pressures of Organic Compounds, Bruce Moller, MSc. Thesis, 2008			MSc. Thesis, 2008
Estimation of pure component properties: Part 3. Estimation of the vapor pressure of non-electrolyte organic compounds via group contributions and group interactions	Nannoolal Y., Rarey J., Ramjugernath D.	Journal	Fluid Phase Equilib., 269(1-2), 117-133 (2008)
Estimation of pure component properties Part 2. Estimation of critical property data by group contribution	Nannoolal Y., Rarey J., Ramjugernath J.	Journal	Fluid Phase Equilib., 252, 1-2, 1 27 (2007)
Development and Critical Evaluation of Group Contribution Methods for the Estimation of Critical Properties, Liquid Vapour Pressure and Liquid Viscosity of Organic Compounds, Yash Nannoolal, PhD Thesis, 2006			PhD Thesis, 2006
Group Contribution Prediction of Surface Charge Density Profiles for COSMO-RS(Ol)	Mu T., Rarey J., Gmehling J.	Journal	AIChE J., 53, 12, 3231 3240 (2007)
Prediction of Liquid Heat Capacities by the Group Contribution Equation of State VTPR	Diedrichs A., Rarey J., Gmehling J.	Journal	Fluid Phase Equilib., 248, 1, 56 69 (2006)
Estimation of Pure Component Properties. Part 1. Estimation of the Normal Boiling Point of Non-Electrolyte Organic Compounds via Group Contributions and Group Interactions	Nannoolal Y., Rarey J., Ramjugernath D., Cordes W.	Journal	Fluid Phase Equilib., 226, 1, 45 63 (2004)
Extension and Revision of the Group Contribution Method GCVOL for the Prediction of Pure Compound Liquid Densities	Ihmels E.C., Gmehling J.	Journal	Ind.Eng.Chem.Res., 42, 2, 408 412 (2003)
A new method for the estimation of the normal boiling point of non-electrolyte organic compounds	Cordes W., Rarey J.	Journal	Fluid Phase Equilib., 201, 19, 409 433 (2002)
Auswahl von Daten und Berechnungsmethoden fuer Reinstoffe und Gemische mit Hilfe eines heuristisch-numerischen Beratungssystems	Schembecker G., Simmrock K.H., Von Trotha T., Hradetzky G., Jung S., Lempe D.A., Gmehling J., Sass R., Westhaus U.	Journal	Chem.Ing.Tech., 68, 10, 1307 1311 (1996)
Entwicklung von Modellen und Korrelationen zur Beschreibung von Reinstoffeigenschaften	Rarey J., Cordes W., Neumann S., Kraehenbuehl M.A., Gmehling J.	Journal	Chem.Ing.Tech., 67, 7, 907 912 (1995)

UNIFAC and mod. UNIFAC Group Contribution Estimation of Real Liquid Phase Behavior

Analysis of a Concept for Predicting Missing Group Interaction Parameters of the UNIFAC Model Using Connectivity Indices	Mohs A., Jakob A., Gmehling J.	Journal	AIChE J., 55, 6, 1614 1625 (2009)
Further Development of Modified UNIFAC (Dortmund): Revision and Extension 5	Jakob A., Grensemann H., Lohmann J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 45, 23, 7924 7933 (2006)
Systems with Ionic Liquids: Measurement of VLE and gamma-infinite Data and Prediction of their Thermodynamic Behavior using Original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol)	Kato R., Gmehling J.	Journal	J.Chem.Thermodyn., 37, 6, 603 619 (2005)
Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods	Grensemann H., Gmehling J.	Journal	Ind.Eng.Chem.Res., 44, 5, 1610 1624 (2005)
Measurement and Prediction of Vapor-Liquid Equilibria of Ternary Systems containing Ionic Liquids	Doeker M., Gmehling J.	Journal	Fluid Phase Equilib., 227, 2, 255 266 (2005)
Group Contribution Methods - Ideal Tools for the Development of Chemical Processes	Gmehling J., Ahlers J.	conference paper	Conference, 38, 11, 1 14 (2004)
Potential of Thermodynamic Tools (Group Contribution Methods, Factual Data Banks) for the Development of Chemical Processes	Gmehling J.	Journal	Fluid Phase Equilib., 210, 2, 161 173 (2003)
Vapor-Liquid Equilibria by UNIFAC Group Contribution. 6. Revision and Extension	Wittig R., Lohmann J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 42, 1, 183 188 (2003)
Potential of group contribution methods for the prediction of phase equilibria and excess properties of complex mixtures	Gmehling J.	Journal	Pure Appl.Chem., 75, 7, 875 888 (2003)
Prediction of Phase Equilibria and Excess Properties for System with Sulfones	Wittig R., Lohmann J., Gmehling J.	Journal	AIChE J., 49, 2, 530 537 (2003)
A Modified UNIFAC (Dortmund) Model. 4. Revision and Extension	Gmehling J., Wittig R., Lohmann J., Joh R.	Journal	Ind.Eng.Chem.Res., 41, 6, 1678 1688 (2002)
Moderne thermodynamische Modelle und Dortmunder Datenbank	Gmehling J.	Journal	Vakuum Forsch.Praxis, 14, 5, 272 279 (2002)
Vapor-Liquid Equilibria and Enthalpies of Mixing in a Temperature Range from 298.15 to 413.15 K for the Further Development of Modified UNIFAC (Dortmund)	Wittig R., Lohmann J., Joh R., Horstmann S., Gmehling J.	Journal	Ind.Eng.Chem.Res., 40, 24, 5831 5838 (2001)
Modified UNIFAC (Dortmund): Reliable Model for the Development of Thermal Separation Processes	Lohmann J., Gmehling J.	Journal	J.Chem.Eng.Japan, 34, 1, 43 54 (2001)
From UNIFAC to Modified UNIFAC (Dortmund)	Lohmann J., Joh R., Gmehling J.	Journal	Ind.Eng.Chem.Res., 40, 3, 957 964 (2001)
Bedeutung von Stuetzstellen bei tiefen und hohen Temperaturen fuer die Anpassung temperaturabhaengiger Modified UNIFAC (Dortmund) - Parameter	Lohmann J., Gmehling J.	Journal	Chem.Techn.(Leipzig), 51, 4, 184 190 (1999)
Group contribution methods - ideal tools for the synthesis and design of separation processes	Gmehling J.	Journal	Pure Appl.Chem., 71, 6, 939 949 (1999)
Synthesis of Distillation Processes Using Thermodynamic Models and the Dortmund Data Bank	Gmehling J., Moellmann C.	Journal	Ind.Eng.Chem.Res., 37, 8, 3112 3123 (1998)
Prediction of Octanol-Water Partition Coefficients, Henry Coefficients and Water Solubilities Using Unifac	Wienke G., Gmehling J.	Journal	Toxicol.Environ.Chem., 65, 1, 57 86 (1998)
A Modified UNIFAC (Dortmund) Model. 3. Revision and Extension	Gmehling J., Lohmann J., Jakob A., Li J., Joh R.	Journal	Ind.Eng.Chem.Res., 37, 12, 4876 4882 (1998)
Revision and Extension of the Group Contribution Method Modified UNIFAC (Dortmund)	Lohmann J., Joh R., Nienhaus B., Gmehling J.	Journal	Chem.Eng.Technol., 21, 3, 245 248 (1998)
Verbesserung der Vorhersagequalitaet und Erweiterung der Anwendungsgebiete der Gruppenbeitragsmethode Modified UNIFAC (Dortmund)	Lohmann J., Joh R., Nienhaus B., Gmehling J.	Journal	Chem.Ing.Tech., 70, 1-2, 138 142 (1998)
Present status of group-contribution methods for the synthesis and design of chemical processes	Gmehling J.	Journal	Fluid Phase Equilib., 144, 1-2, 37 47 (1998)
Group Contribution Methods and Dortmund Data Bank - Ideal Tools for the Synthesis and Design of Chemical Processes	Gmehling J., Moellmann C.	conference paper	International Symposium, 142, 21, 161 173 (1997)
Measurement and Prediction of Ternary Solid-Liquid Equilibria	Joh R., Kreutz J., Gmehling J.	Journal	J.Chem.Eng.Data, 42, 5, 886 889 (1997)
From UNIFAC to Modified UNIFAC to PSRK with the Help of DDB	Gmehling J.	Journal	Fluid Phase Equilib., 107, 1, 1 29 (1995)
Phasengleichgewichtsmodelle zur Synthese und Auslegung von Trennprozessen	Gmehling J.	Journal	Chem.Ing.Tech., 66, 6, 792 808 (1994)
A Modified UNIFAC Model. 2. Present Parameter Matrix and Results for Different Thermodynamic Properties	Gmehling J., Li J., Schiller M.	Journal	Ind.Eng.Chem.Res., 32, 1, 178 193 (1993)
Status and Results of Group Contribution Methods	Gmehling J., Fischer K., Li J., Schiller M.	Journal	Pure Appl.Chem., 65, 5, 919 926 (1993)
Development of Thermodynamic Models with a View to the Synthesis and Design of Separation Processes	Gmehling J.	conference paper	Conference, 5, 1, 1 14 (1991)
Vapor-Liquid Equilibria by UNIFAC Group-Contribution. 5. Revision and Extension	Hansen H.K., Rasmussen P., Fredenslund A., Schiller M., Gmehling J.	Journal	Ind.Eng.Chem.Res., 30, 10, 2352 2355 (1991)
Einfluss der Datenbasis auf die Resultate von Gruppenbeitragsmethoden	Schiller M., Tiegs D., Gmehling J.	Journal	Chem.Ing.Tech., 63, 11, 1132 1135 (1991)
A Comparison of the Predictive Capability of Different Group-Contribution Methods	Gmehling J., Tiegs D., Knipp U.	Journal	Fluid Phase Equilib., 54, 11, 147 165 (1990)
Auswahl und Auslegung thermischer Trennprozesse mit Hilfe von Gruppenbeitragsmethoden	Gmehling J., Tiegs D., Weidlich U.	Journal	Chem.Ing.Tech., 60, 10, 759 768 (1988)
Vapor-Liquid Equilibria by UNIFAC Group Contribution. 4. Revision and Extension	Tiegs D., Gmehling J., Rasmussen P., Fredenslund A.	Journal	Ind.Eng.Chem.Res., 26, 1, 159 161 (1987)
A Modified UNIFAC Model. 1. Prediction of VLE, hE, and gamma Infinite	Weidlich U., Gmehling J.	Journal	Ind.Eng.Chem.Res., 26, 7, 1372 1381 (1987)
UNIFAC - ein wichtiges Werkzeug fuer die chemische Industrie	Gmehling J.	conference paper	Software-Entwicklung in der Chemie, 1, 3, 137 151 (1987)
Group Contribution Methods for the Estimation of Activity Coefficients	Gmehling J.	Journal	Fluid Phase Equilib., 30, 3, 119 134 (1986)
Extension of Unifac by Headspace Gas Chromatography. 2.	Weidlich U., Berg J., Gmehling J.	Journal	J.Chem.Eng.Data, 31, 3, 313 317 (1986)
Results of a Modified UNIFAC Method for Alkane-Alkohol Systems	Weidlich U., Gmehling J.	Journal	Fluid Phase Equilib., 27, 7, 171 180 (1986)
Extension of UNIFAC by Headspace Gas Chromatography	Weidlich U., Gmehling J.	Journal	J.Chem.Eng.Data, 30, 1, 95 101 (1985)
Prediction of Gas Solubilities by a Modified UNIFAC Equation	Nocon G., Weidlich U., Gmehling J., Menke J., Onken U.	Journal	Fluid Phase Equilib., 13, 1, 381 392 (1983)
Prediction of Gas Solubilities by a Modified UNIFAC-Equation	Nocon G., Weidlich U., Gmehling J., Onken U.	Journal	Ber.Bunsen-Ges.Phys.Chem., 87, 1, 17 23 (1983)
Vapor-Liquid Equilibria by UNIFAC Group-Contribution. Revision and Extension. 3	Macedo E.A., Weidlich U., Gmehling J., Rasmussen P.	Journal	Ind.Eng.Chem. Process Des.Dev., 22, 4, 676 678 (1983)
Vapor-Liquid Equilibria by UNIFAC Group Contribution. Revision and Extension. 2	Gmehling J., Rasmussen P., Fredenslund Aa.	Journal	Ind.Eng.Chem. Process Des.Dev., 21, 1, 118 127 (1982)
Flash Points of Flammable Liquid Mixtures Using UNIFAC.	Gmehling J., Rasmussen P.	Journal	Ind.Eng.Chem. Fundam., 21, 2, 186 188 (1982)
Ein Beitrag zur Thermodynamik der Phasengleichgewichte	Gmehling J.	PhD thesis	Thesis, 258, 2, 1 91 (1981)
Eine Uebersicht zur Berechnung von Phasengleichgewichten mit Hilfe der UNIFAC-Methode	Gmehling J., Rasmussen P., Fredenslund A.	Journal	Chem.Ing.Tech., 52, 9, 724 734 (1980)
Abschaetzung des Loesungsmitteleffektes auf die Geschwindigkeit chemischer Reaktionen mit Hilfe der UNIFAC-Methode	Gmehling J., Fellensiek J.	Journal	Z.Phys.Chem.(Muenchen), 122, 4, 251 254 (1980)
Vapor-Liquid Equilibria by UNIFAC Group Contribution. Revision and Extension	Skjold-Joergensen S., Kolbe B., Gmehling J., Rasmussen P.	Journal	Ind.Eng.Chem. Process Des.Dev., 18, 4, 714 722 (1979)
Calculation of Activity Coefficients from Structural-Group Contributions	Gmehling J., Onken U.	Journal	Int.Chem.Eng., 19, 4, 566 570 (1979)
Solid-Liquid Equilibria Using Unifac	Gmehling J.G., Anderson T.F., Prausnitz J.M.	Journal	Ind.Eng.Chem. Fundam., 17, 4, 269 273 (1978)
Computerized Design of Multicomponent Distillation Columns Using the UNIFAC Group Contribution Method for Calculation of Activity Coefficients	Fredenslund A., Gmehling J., Michelsen M.L., Rasmussen P., Prausnitz J.M.	Journal	Ind.Eng.Chem. Process Des.Dev., 16, 4, 450 462 (1977)
Die Vorausberechnung von Dampf/Fluessigkeits-Gleichgewichten	Onken U., Gmehling J.	Journal	Chem.Ing.Tech., 49, 5, 404 411 (1977)
Berechnung von Aktivitaetskoeffizienten aus Strukturgruppenbeitraegen	Gmehling J., Onken U.	Journal	Ber.Bunsen-Ges.Phys.Chem., 81, 10, 1023 1027 (1977)
A Modified UNIFAC Model. Part 1: Model Development, Parameter Fitting Using the Dortmund Data Bank	Tiegs D., Gmehling J.	internal report	Manuscript, 30, 10, 1 2 (0000)

Predictive Equations of State (PSRK, VTPR)

Prediction of Liquid Heat Capacities by the Group Contribution Equation of State VTPR	Diedrichs A., Rarey J., Gmehling J.	Journal	Fluid Phase Equilib., 248, 1, 56 69 (2006)
Prediction of Phase Equilibria with Strong Electrolytes with the Help of the Volume Translated Peng-Robinson Group Contribution Equation of State (VTPR)	Collinet E., Gmehling J.	Journal	Fluid Phase Equilib., 246, 1-2, 111-118 (2006)
PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and a-Function Parameters for 1000 Components	Horstmann S., Jabloniec A., Krafczyk J., Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 227, 2, 157 164 (2005)
Application of PSRK for Process Design	Horstmann S., Fischer K., Gmehling J.	Journal	Chem.Eng.Commun., 192, 5, 336 350 (2005)
Group Contribution Methods - Ideal Tools for the Development of Chemical Processes	Gmehling J., Ahlers J.	conference paper	Conference, 38, 11, 1 14 (2004)
Application of the PSRK Model for Systems Containing Strong Electrolytes	Kiepe J., Horstmann S., Fischer K., Gmehling J.	Journal	Ind.Eng.Chem.Res., 43, 20, 6607 6615 (2004)
Development of a Universal Group Contribution Equation of State. 5. Prediction of the Solubility of High-Boiling Compounds in Supercritical Gases with the Group Contribution Equation of State Volume-Translated Peng-Robinson	Ahlers J., Yamaguchi T., Gmehling J.	Journal	Ind.Eng.Chem.Res., 43, 20, 6569 6576 (2004)
A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions	Li M., Wang L., Gmehling J.	Journal	Chin.J.Chem.Eng., 12, 3, 454 457 (2004)
Developement of a Universal Group Contribution Equations of State. 4. Prediction of Vapor-Liquid Equilibria of Polymer Solutions with the Volume Translated Group Contribution Equation of State	Wang L.-S., Ahlers J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 42, 24, 6205 6211 (2003)
Potential of group contribution methods for the prediction of phase equilibria and excess properties of complex mixtures	Gmehling J.	Journal	Pure Appl.Chem., 75, 7, 875 888 (2003)
Development of a Universal Group Contribution Equation of State. III. Prediction of Vapor-Liquid Equilibria, Excess Enthalpies, and Activity Coefficients at Inifinite Dilution with the VTPR Model	Ahlers J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 41, 23, 5890 5899 (2002)
Development of a Universal Group Contribution Equation of State. 2. Prediction of Vapor-Liquid Equilibria for Asymmetric Systems	Ahlers J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 41, 14, 3489 3498 (2002)
Modification of PSRK mixing rules and results for vapor-liquid equilibria, enthalpy of mixing and activity coefficients at infinite dilution	Chen J., Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 200, 6, 411 429 (2002)
Rebuttal to the Comments of Ilya Polishuk, Jaime Wisniak, and Hugo Segura on 'Development of a Universal Group Contribution Equation of State. 2. Prediction of Vapor-Liquid Equilibria for Asymmetric Systems' by Jens Ahlers und Juergen Gmehling	Ahlers J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 41, 25, 6635 6635 (2002)
Experimental Determination and Prediction of Gas Solubility Data for CO2 + H2O Mixtures Containing NaCl or KCl at Temperatures between 313 and 393 K and Pressures up to 10 MPa	Kiepe J., Horstmann S., Fischer K., Gmehling J.	Journal	Ind.Eng.Chem.Res., 41, 17, 4393 4398 (2002)
Development of an universal group contribution equation of state. I. Prediction of liquid densities for pure compounds with a volume translated Peng-Robinson equation of state	Ahlers J., Gmehling J.	Journal	Fluid Phase Equilib., 191, 10, 177 188 (2001)
Prediction of Gas Solubilities in Aqueous Electrolyte Systems Using the Predictive Soave-Redlich-Kwong Model	Li J., Topphoff M., Fischer K., Gmehling J.	Journal	Ind.Eng.Chem.Res., 40, 16, 3703 3710 (2001)
PSRK group contribution equation of state: revision and extension III	Horstmann S., Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 167, 7, 173 186 (2000)
Experimental Determination of the Critical Line for (Carbon Dioxide + Ethane) and Calculation of Various Thermodynamic Properties for (Carbon Dioxide + n-Alkane) using the PSRK Model	Horstmann S., Fischer K., Gmehling J., Kolar P.	Journal	J.Chem.Thermodyn., 32, 7, 451 464 (2000)
Group contribution methods - ideal tools for the synthesis and design of separation processes	Gmehling J.	Journal	Pure Appl.Chem., 71, 6, 939 949 (1999)
Synthesis of Distillation Processes Using Thermodynamic Models and the Dortmund Data Bank	Gmehling J., Moellmann C.	Journal	Ind.Eng.Chem.Res., 37, 8, 3112 3123 (1998)
The Performance of EOS Models in the Predictions of Vapor-Liquid Equilibria in Asymmetric Natural Gas Mixtures	Lisheng W., Gardeler H., Gmehling J.	Journal	Chin.J.Chem.Eng., 6, 3, 213 221 (1998)
Prediction of Vapor-Liquid Equilibria for Asymmetric Systems at Low and High Pressures with the Psrk Model	Li J., Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 143, 1, 71 82 (1998)
Group Contribution Methods and Dortmund Data Bank - Ideal Tools for the Synthesis and Design of Chemical Processes	Gmehling J., Moellmann C.	conference paper	International Symposium, 142, 21, 161 173 (1997)
Further development of the PSRK model for the prediction of gas solubilities and vapor-liquid-equilibria at low and high pressures	Gmehling J., Li J., Fischer K.	Journal	Fluid Phase Equilib., 141, 5, 113 127 (1997)
Further Development, Status and Results of the PSRK Method for the Prediction of Vapor-Liquid Equilibria and Gas Solubilities	Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 121, 1, 185 206 (1996)
From UNIFAC to Modified UNIFAC to PSRK with the Help of DDB	Gmehling J.	Journal	Fluid Phase Equilib., 107, 1, 1 29 (1995)
Further Development, Status and Results of the PSRK Method for the Prediction of Vapor-Liquid Equilibria and Gas Solubilities	Fischer K., Gmehling J.	Journal	Fluid Phase Equilib., 112, 2, 1 22 (1995)
Status and Results of Group Contribution Methods	Gmehling J., Fischer K., Li J., Schiller M.	Journal	Pure Appl.Chem., 65, 5, 919 926 (1993)
Development of Thermodynamic Models with a View to the Synthesis and Design of Separation Processes	Gmehling J.	conference paper	Conference, 5, 1, 1 14 (1991)
PSRK: A Group-Contribution Equation of State based on UNIFAC	Holderbaum T., Gmehling J.	Journal	Fluid Phase Equilib., 70, 1, 251 265 (1991)
PSRK: Eine Zustandsgleichung zur Vorhersage von Dampf/Fluessig- Gleichgewichten bei mittleren und hohen Druecken.	Holderbaum T., Gmehling J.	Journal	Chem.Ing.Tech., 63, 1, 57 59 (1991)
Binary & Multicomponent Vapor-Liquid Equilibrium Calculation with Cubic Equations of State using Classical and gE Mixing Rules	Gmehling J., Molnar-Jobbagy M.	Reports	Report, 258, 2, 1 117 (1988)

COSMO-RS Type Models

Application of COSMO-RS Type Models to the Prediction of Excess Enthalpies	Constantinescu D., Rarey J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 277, 1,8710-8725 (2009)
Reply to: Comments on Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries	Mu T., Rarey J., Gmehling	Journal	Ind.Eng.Chem.Res., 47, 3, 989 989 (2008)
Conductor-Like Screening Model for Real Solvents ( COSMO-RS)	Mu T., Gmehling J.	Journal	Huaxue-jinzhan, 20, 10, 1487 1494 (2008)
Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries	Mu T., Rarey J., Gmehling J.	Journal	Ind.Eng.Chem.Res., 46, 20, 6612 6629 (2007)
Group Contribution Prediction of Surface Charge Density Profiles for COSMO-RS(Ol)	Mu T., Rarey J., Gmehling J.	Journal	AIChE J., 53, 12, 3231 3240 (2007)
Weiterentwicklung thermodynamischer Vorhersagemodelle durch Einsatz von quantenchemischen Methoden	Grensemann H.	PhD thesis	Thesis, Carl-von-Ossietzky-Universität Oldenburg, 1-235, 2005
Rebuttal to the Comments of Andreas Klamt on "Performance of a COSMO-RS Model in Comparison to Classical Group Contribution Methods"	Grensemann H., Gmehling J.	Journal	Ind.Eng.Chem.Res., 44, 17, 7043 7044 (2005)
Systems with Ionic Liquids: Measurement of VLE and gamma-infinite Data and Prediction of their Thermodynamic Behavior using Original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol)	Kato R., Gmehling J.	Journal	J.Chem.Thermodyn., 37, 6, 603 619 (2005)
Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods	Grensemann H., Gmehling J.	Journal	Ind.Eng.Chem.Res., 44, 5, 1610 1624 (2005)

Electrolyte Models (LIFAC, LIQUAC)

Prediction of Phase Equilibria with Strong Electrolytes with the Help of the Volume Translated Peng-Robinson Group Contribution Equation of State (VTPR)	Collinet E., Gmehling J.	Journal	Fluid Phase Equilib., 246, 1-2, 111-118 (2006)
Modified LIQUAC and Modified LIFAC-A Further Development of Electrolyte Models for the Reliable Prediction of Phase Equilibria with Strong Electrolytes	Kiepe J., Noll O., Gmehling J.	Journal	Ind.Eng.Chem.Res., 45, 7, 2361 2373 (2006)
gE Model for Single- and Mixed-Solvent Electrolyte Systems. 3. Prediction of Salt Solubilities in Aqueous Electrolyte Systems	Li J., Lin Y., Gmehling J.	Journal	Ind.Eng.Chem.Res., 44, 5, 1602 1609 (2005)
Group Contribution Methods - Ideal Tools for the Development of Chemical Processes	Gmehling J., Ahlers J.	conference paper	Conference, 38, 11, 1 14 (2004)
Experimental Determination and Prediction of Gas Solubility Data for CO2 + H2O Mixtures Containing NaCl or KCl at Temperatures between 313 and 393 K and Pressures up to 10 MPa	Kiepe J., Horstmann S., Fischer K., Gmehling J.	Journal	Ind.Eng.Chem.Res., 41, 17, 4393 4398 (2002)
Measurement and Correlation of Isothermal Vapor-Liquid Equilibrium Data for the System Tetrahydrofuran + Methanol + Lithium Bromide	Yan W., Fu R., Zhang R., Gmehling J.	Journal	J.Chem.Eng.Data, 47, 3, 482 486 (2002)
Effects of Lithium Nitrate on the Vapor-Liquid Equilibria of Methyl Acetate + Methanol and Ethyl Acetate + Ethanol	Topphoff M., Kiepe J., Gmehling J.	Journal	J.Chem.Eng.Data, 46, 5, 1333 1337 (2001)
Prediction of vapor-liquid equilibria in mixed-solvent electrolyte systems using the group contribution concept	Yan W., Topphoff M., Rose C., Gmehling J.	Journal	Fluid Phase Equilib., 162, 6, 97 113 (1999)
A gE Model for Single and Mixed Solvent Electrolyte Systems. 1. Model and Results for Strong Electrolytes	Li J., Polka H.-M., Gmehling J.	Journal	Fluid Phase Equilib., 94, 3, 89 114 (1994)
A gE Model for Single and Mixed Solvent Electrolyte Systems 2. Results and comparison with other models	Polka H.-M., Li J., Gmehling J.	Journal	Fluid Phase Equilib., 94, 3, 115 127 (1994)
Development of Thermodynamic Models with a View to the Synthesis and Design of Separation Processes	Gmehling J.	conference paper	Conference, 5, 1, 1 14 (1991)

Ionic Liquids

Measurement and Prediction of Activity Coefficients at Infinite Dilution (gamma infinite), Vapor-Liquid Equilibria (VLE) and Excess Enthalpies (hE) of Binary Systems with 1,1-Dialkyl-Pyrrolidinium Bis(Trifluoromethylsulfonyl)imide using Modified UNIFAC (Dortmund)	Nebig S., Liebert V., Gmehling J.	Journal	Fluid Phase Equilib., 277, 1, 61 67 (2009)
Activity coefficients at infinite dilution of alkanes and alkenes in 1-alkyl-3-methylimidazolium tetrafluoroborate	Bahlmann M., Nebig S., Gmehling J.	Journal	Fluid Phase Equilib., 282, 2, 113 116 (2009)
Influence of ionic liquids on the separation factor of three standard separation problems	Westerholt A., Liebert V., Gmehling J.	Journal	Fluid Phase Equilib., 280, 1-2, 56 60 (2009)
Experimental and predicted phase equilibria and excess properties for systems with ionic liquids	Liebert V., Nebig S., Gmehling J.	Journal	Fluid Phase Equilib., 268, 1-2, 14 20 (2008)
Measurement of vapor.liquid equilibria (VLE) and excess enthalpies (HE) of binary systems with 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and prediction of these properties and gamma infinite using modified UNIFAC (Dortmund)	Nebig S., Boelts R., Gmehling J.	Journal	Fluid Phase Equilib., 258, 2, 168 178 (2007)
Measurement of Heat Capacities of Ionic Liquids by Differential Scanning Calorimetry	Diedrichs A., Gmehling J.	Journal	Fluid Phase Equilib., 244, 1, 68 77 (2006)
Systems with Ionic Liquids: Measurement of VLE and gamma-infinite Data and Prediction of their Thermodynamic Behavior using Original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol)	Kato R., Gmehling J.	Journal	J.Chem.Thermodyn., 37, 6, 603 619 (2005)
Measurement and Correlation of Vapor-Liquid Equilibria of Binary Systems Containing the Ionic Liquids [EMIM][(CF3SO2)2N], [BMIM][(CF3SO2)2N], [MMIM][(CH3)2PO4] and Oxygenated Organic Compounds Respectively Water	Kato R., Gmehling J.	Journal	Fluid Phase Equilib., 231, 1, 38 43 (2005)
Measurement and Prediction of Vapor-Liquid Equilibria of Ternary Systems containing Ionic Liquids	Doeker M., Gmehling J.	Journal	Fluid Phase Equilib., 227, 2, 255 266 (2005)
Activity Coefficients at Infinite Dilution of Various Solutes in the Ionic Liquids [MMIM]+[CH3SO4]-, [MMIM]+[CH3OC2H4SO4]-, [MMIM]+[(CH3)2PO4]-, [C5H5NC2H5]+[(CF3SO2)2N]- and [C5H5NH]+[C2H5OC2H4OSO3]-	Kato R., Gmehling J.	Journal	Fluid Phase Equilib., 226, 6, 37 44 (2004)
Measurement of Activity Coefficients at Infinite Dilution of Benzene, Toluene, Ethanol, Esters, Ketones, and Ethers at Various Temperatures in Water Using the Dilutor Technique	Atik Z., Gruber D., Krummen M., Gmehling J.	Journal	J.Chem.Eng.Data, 49, 5, 1429 1432 (2004)
Measurement and Correlation of Vapor-Liquid Equilibria and Excess Enthalpies of Binary Systems Containing Ionic Liquids and Hydrocarbons	Kato R., Krummen M., Gmehling J.	Journal	Fluid Phase Equilib., 224, 1, 47 54 (2004)
Measurement of Activity Coefficients at Infinite Dilution of Ionic Liquids Using the Diluter Technique	Krummen M., Wasserscheid P., Gmehling J.	Journal	J.Chem.Eng.Data, 47, 6, 1411 1417 (2002)

Process Synthesis

Influence of ionic liquids on the separation factor of three standard separation problems	Westerholt A., Liebert V., Gmehling J.	Journal	Fluid Phase Equilib., 280, 1-2, 56 60 (2009)
Recent Advances in Thermal Separation Processes	Steinigeweg S., Gmehling J.	Journal	Bunri Gijutsu, 35, 4, 214 222 (2005)
Simple Method for Determining the Location of Distillation Region Boundaries in Quaternary Systems	Poepken T., Gmehling J.	Journal	Ind.Eng.Chem.Res., 43, 3, 777 783 (2004)
Potential of Thermodynamic Tools (Group Contribution Methods, Factual Data Banks) for the Development of Chemical Processes	Gmehling J.	Journal	Fluid Phase Equilib., 210, 2, 161 173 (2003)
Classification of Homogeneous Binary Azeotropes	Shulgin I., Fischer K., Noll O., Gmehling J.	Journal	Ind.Eng.Chem.Res., 40, 12, 2742 2747 (2001)
Synthesis of Distillation Processes Using Thermodynamic Models and the Dortmund Data Bank	Gmehling J., Moellmann C.	Journal	Ind.Eng.Chem.Res., 37, 8, 3112 3123 (1998)
Auswahl selektiver Zusatzstoffe fuer die Rektifikation durch kombinierten Zugriff auf experimentelle und vorausberechnete Gleichgewichtsdaten	Moellmann C., Gmehling J.	Journal	Chem.Ing.Tech., 69, 3, 324 328 (1997)
Phasengleichgewichtsmodelle zur Synthese und Auslegung von Trennprozessen	Gmehling J.	Journal	Chem.Ing.Tech., 66, 6, 792 808 (1994)
The Course of Distillation Curves in Ternary Systems	Novak J.P., Gmehling J., Matous J.	Journal	Chem.Listy, 87, 4, 754 775 (1993)
Auswahl und Auslegung thermischer Trennprozesse mit Hilfe von Gruppenbeitragsmethoden	Gmehling J., Tiegs D., Weidlich U.	Journal	Chem.Ing.Tech., 60, 10, 759 768 (1988)
Phasengleichgewichte als Basis zur Berechnung von thermischen Trennprozessen	Andereya E., Gmehling J., Heck G., Onken U.	Journal	Chem.Ing.Tech., 57, 2, 166 167 (1985)
VLE Data for the Design of Separation Processes	Gmehling J.	Journal	AIChE Symp.Ser., 81, 244, 121 129 (1985)
Auswahl von Loesungsmitteln fuer die Extraktiv-Rektifikation mittels vorrausberechneter Gleichgewichtsdaten	Kolbe B., Gmehling J., Onken U.	Journal	Ber.Bunsen-Ges.Phys.Chem., 83, 11, 1133 1136 (1979)
Computerized Design of Multicomponent Distillation Columns Using the UNIFAC Group Contribution Method for Calculation of Activity Coefficients	Fredenslund A., Gmehling J., Michelsen M.L., Rasmussen P., Prausnitz J.M.	Journal	Ind.Eng.Chem. Process Des.Dev., 16, 4, 450 462 (1977)

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