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.
- Dortmund Data Bank (DDB) Configuration
- DDBST - DDBST GmbH
- From UNIFAC To Modified UNIFAC To PSRK With The Help Of DDB
- Dortmund Data Bank Software Package Free Download Online
- Dortmund Data Bank Software Package free. download full
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
Pure Component Property Estimation
UNIFAC and mod. UNIFAC Group Contribution Estimation of Real Liquid Phase Behavior
Predictive Equations of State (PSRK, VTPR)
COSMO-RS Type Models
Electrolyte Models (LIFAC, LIQUAC)
Ionic Liquids
Process Synthesis
COSMO-RS Type Models
Electrolyte Models (LIFAC, LIQUAC)
Ionic Liquids
Process Synthesis
Review Articles
Group Contribution Methods for Phase Equilibrium Calculations | Gmehling J., Constantinescu D., Schmid B. | Journal | Annu Rev Chem Biomol Eng. 6 (2015) 267-292 |
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) |
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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
Present Status and Potential of Group Contribution Methods for Process Development | Gmehling J. | Journal | J.Chem.Thermodyn., 41, 7, 731 747 (2009) |
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) |
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 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) |
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) |
Moderne thermodynamische Modelle und Dortmunder Datenbank | Gmehling J. | Journal | Vakuum Forsch.Praxis, 14, 5, 272 279 (2002) |
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) |
From UNIFAC to Modified UNIFAC (Dortmund) | Lohmann J., Joh R., Gmehling J. | Journal | Ind.Eng.Chem.Res., 40, 3, 957 964 (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) |
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) |
Group contribution methods - ideal tools for the synthesis and design of separation processes | Gmehling J. | Journal | Pure Appl.Chem., 71, 6, 939 949 (1999) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
Status and Results of Group Contribution Methods | Gmehling J., Fischer K., Li J., Schiller M. | Journal | Pure Appl.Chem., 65, 5, 919 926 (1993) |
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) |
Einfluss der Datenbasis auf die Resultate von Gruppenbeitragsmethoden | Schiller M., Tiegs D., Gmehling J. | Journal | Chem.Ing.Tech., 63, 11, 1132 1135 (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) |
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) |
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) |
UNIFAC - ein wichtiges Werkzeug fuer die chemische Industrie | Gmehling J. | conference paper | Software-Entwicklung in der Chemie, 1, 3, 137 151 (1987) |
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) |
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) |
Test der modifizierten UNIFAC-Methode zur Vorhersage von Dampf-Flüssig-Gleichgewichten, Aktivitätskoeffizienten bei unendlicher Verdünnung und Exzeßenthalpie-Daten | Rarey J. | interne Berichte | Student Research Project, 55, 12, 1 75 (1984) |
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) |
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) |
Flash Points of Flammable Liquid Mixtures Using UNIFAC. | Gmehling J., Rasmussen P. | Journal | Ind.Eng.Chem. Fundam., 21, 2, 186 188 (1982) |
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) |
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) |
Berechnung von Aktivitaetskoeffizienten aus Strukturgruppenbeitraegen | Gmehling J., Onken U. | Journal | Ber.Bunsen-Ges.Phys.Chem., 81, 10, 1023 1027 (1977) |
Die Vorausberechnung von Dampf/Fluessigkeits-Gleichgewichten | Onken U., Gmehling J. | Journal | Chem.Ing.Tech., 49, 5, 404 411 (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)
Extension of the VTPR Group Contribution Equation of State: Group Interaction Parameters for Additional 192 Group Combinations and Typical Results | Schmid B., Schedemann A., Gmehling J. | Journal | Ind. Eng. Chem. Res. 53 (2014) 3393-3405. |
Revised Parameters and Typical Results of the VTPR Group Contribution Equation of State | Schmid B., Gmehling J. | Journal | Fluid Phase Equilib. 317, 110-126 (2012) |
The universal group contribution equation of state VTPR present status and potential for process development | Schmid B., Gmehling J. | Journal | Fluid Phase Equilib., 302, 1-2, 213 219 (2011) |
From van der Waals to VTPR: The systematic improvement of the van der Waals equation of state | Schmid B., Gmehling J. | Journal | J.Supercrit.Fluids, 55, 2, 438 447 (2010) |
Present Status and Potential of Group Contribution Methods for Process Development | Gmehling J. | Journal | J.Chem.Thermodyn., 41, 7, 731 747 (2009) |
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) |
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) |
Application of PSRK for Process Design | Horstmann S., Fischer K., Gmehling J. | Journal | Chem.Eng.Commun., 192, 5, 336 350 (2005) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
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) |
From UNIFAC to Modified UNIFAC to PSRK with the Help of DDB | Gmehling J. | Journal | Fluid Phase Equilib., 107, 1, 1 29 (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
Group Contribution Prediction of Surface Charge Density Distribution of Molecules for COSMO-SAC | Mu T., Rarey J., Gmehling J. | Journal | AIChE J., 55, 12, 3298 3300 (2009) |
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
Dortmund Data Bank (DDB) Configuration
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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