The program handles bubble point, dew point and flash calculations.
Results are displayed in tables and plots and can be copied to the Windows clipboard, saved
to file or printed. The full set of DDB basic data is included in the
DDBSP-PSRK license.
The methods and calculations are used in a large variety of
applications also including risk assessment to calculate the maximum pressure in
a vessel after overheating of a reaction system.
For integration into third party software via DLL or COM and special conditions for sub-licensing, please inquire.
The following figures show an example output for a two phase TP-flash calculation in a 6 component mixture:
The diagram below shows the phase envelope for the mixture carbon dioxide - eicosane at 473.15K:
| 2011 | 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) |
| 2010 | The systematic improvement of the van der Waals equation of state | Schmid B., Gmehling J. | Journal | J.Supercrit.Fluids, 55, 2, 438 447 (2010) |
| 2009 | Present Status and Potential of Group Contribution Methods for Process Development | Gmehling J. | Journal | J.Chem.Thermodyn., 41, 7, 731 747 (2009) |
| 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) |
| 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) |
| 2005 | Application of PSRK for Process Design | Horstmann S., Fischer K., Gmehling J. | Journal | Chem.Eng.Commun., 192, 5, 336 350 (2005) |
| 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) |
| 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) |
| 2004 | Group Contribution Methods - Ideal Tools for the Development of Chemical Processes | Gmehling J., Ahlers J. | conference paper | Conference, 38, 11, 1 14 (2004) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 2001 | 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) |
| 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) |
| 2000 | 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 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) |
| 1997 | 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) |
| 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) |
| 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., 121, 1, 185 206 (1996) |
| 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) |
| 1995 | From UNIFAC to Modified UNIFAC to PSRK with the Help of DDB | Gmehling J. | Journal | Fluid Phase Equilib., 107, 1, 1 29 (1995) |
| 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) |
| 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) |
| 1991 | PSRK: A Group-Contribution Equation of State based on UNIFAC | Holderbaum T., Gmehling J. | Journal | Fluid Phase Equilib., 70, 1, 251 265 (1991) |
| 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) |
| 1988 | 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) |
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