Scientific Papers
2018
Wallek, Thomas; Knöbelreiter, Klaus; Rarey, Jürgen
Estimation of Pure-Component Properties of Biodiesel-Related Components: Fatty Acid Ethyl Esters
Industrial & Engineering Chemistry Research, revision submitted (2018 01 31)
Trang Khanh Mai, Sureelak Rodtong, Yodthong Baimark, Jürgen Rarey, Apichat Boontawana
Membrane-Based Purification of Optically Pure D-Lactic Acid from Fermentation Broth to Poly(D-Lactide) Polymer
Journal of Membrane Science, accepted
DOI: 10.1016/j.memsci.2018.01.046
Böwer, Pascal; Teusch, Thomas; Ramsuroop, Suresh; Rarey, Juergen; Ramjugernath, Deresh
Development of a computational tool for the analysis and synthesis of crystallization processes
Organic Process Research & Development, accepted (2018 01 20)
DOI: 10.1021/acs.oprd.7b00364
2017
Kuveneshan Moodley, Deresh Ramjugernath, Juergen Rarey
Model Evaluation for the Prediction of Solubility of Active Pharmaceutical Ingredients (APIs) to Guide Solid-Liquid Separator Design
Asian Journal of Pharmaceutical Sciences, accepted (2017 12 04)
DOI: 10.1016/j.ajps.2017.12.004
Brian Satola, Jürgen Rarey, Deresh Ramjugernath
Quality of Component- and Group-Interaction-Based Regression of Binary Vapor-Liquid Equilibrium Data
Industrial & Engineering Chemistry Research 56(37) August 2017
DOI: 10.1021/acs.iecr.7b02118
Robin Fingerhut, Wei-Lin Chen, Andre Schedemann, Wilfried Cordes, Jürgen Rarey , Chieh-Ming Hsieh, Jadran Vrabec , and Shiang-Tai Lin
Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria
Industrial & Engineering Chemistry Research 56(35) July 2017
DOI: 10.1021/acs.iecr.7b01360
Kuveneshan Moodley, Jürgen Rarey, Deresh Ramjugernath
Experimental solubility data for prednisolone and hydrocortisone in various solvents between (293.2 and 328.2) K by employing combined DTA/TGA
Journal of Molecular Liquids 240 May 2017
DOI: 10.1016/j.molliq.2017.05.076
2016
Kuveneshan Moodley, Jürgen Rarey, Deresh Ramjugernath
Experimental solubility of diosgenin and estriol in various solvents between T = (293.2 to 328.2) K
The Journal of Chemical Thermodynamics 106 November 2016
DOI: 10.1016/j.jct.2016.11.017
Kuveneshan Moodley, Jürgen Rarey, Deresh Ramjugernath
Experimental solubility for betulin and estrone in various solvents within the temperature range T = (293.2 to 328.2) K
The Journal of Chemical Thermodynamics, Volume 98, July 2016, Pages 42–50
2015
Bilde, M.; Barsanti, K.; Booth, A.; Cappa, C. D.; Donahue, N.; Emanuelsson, E.; McFiggans, G.; Krieger, U.; Marcolli, C; Topping, D; Ziemann, P; Barley, M; Clegg, S; Dennis-Smither, B.; Hallquist, M.; Hallquist, Å.; Khlystov, A.; Kulmala, M.; Mogensen, D.; Percival, C.; Pope, F.; Reid, J.; Rosenoern, T.; Ribeiro da Silva, M.; Salo, K.; Soonsin, V.; Yli-Juuti, T.; Prisle, N.; Pagels, J.; Rarey, J.; Zardini, A.; Riipinen, I.
Saturation vapor pressures and transition enthalpies of low-volatility organic molecules of atmospheric relevance: from dicarboxylic acids to complex mixtures.
Chemical Reviews, 2015, 115(10), 4115-4156
DOI: 10.1021/cr5005502
K. Moodley, J. Rarey, D. Ramjugernath
A Universal Segment Approach for the Prediction of the Activity Coefficient of Complex Pharmaceuticals in Non-electrolyte Solvents
Fluid Phase Equilibria, Volume 396, 25 June 2015, Pages 98–110
P. C. Belting, R. Böltz, J. Rarey, J. Gmehling, R. Ceriani, O. Chiavone-Filho, A. J.A. Meirelles
Measurement, correlation and prediction of isothermal vapor-liquid equilibria of different systems containing vegetable oil
Fluid Phase Equilibria,Volume 395, 15 June 2015, Pages 15–25
2014
K. Moodley, J. Rarey, D. Ramjugernath
Application of the bio-inspired Krill Herd optimization technique to phase equilibrium calculations
Fluid Phase Equil., 74, (2014), 75-88
doi:10.1016/j.compchemeng.2014.12.008
P. C. Belting, R. Böltz, J. Rarey, J. Gmehling, R. Ceriani, O. Chiavone-Filho, A. J.A. Meirelles
Excess enthalpies for pseudobinary mixtures containing vegetable oils at the temperatures 298.15 K, 353.15 K and 383.15 K
Fluid Phase Equilibria, Volume 375, 15 August 2014, Pages 124–133
P. C. Belting, J. Rarey, J. Gmehling, R. Ceriani, O. Chiavone-Filho, A. J.A. Meirelles
Measurements of Activity Coefficients at Infinite Dilution in Vegetable Oils and Capric Acid Using the Dilutor Technique
Fluid Phase Equilibria, Volume 361, 15 January 2014, Pages 215–222
Fluid Phase Equilibria 361:69–82 January 2014
DOI: 10.1016/j.fluid.2013.10.039
2013
Thomas Wallek, Jürgen Rarey, Jürgen O. Metzger, Jürgen Gmehling
Estimation of Pure Component Properties: Biodiesel Related Components – Fatty Acid Methyl Esters, Fatty Acids and Triglycerides
Ind. Eng. Chem. Res., 2013, 52 (47), pp 16966–16978
| Extension of the GE Model FlexQUAC to Asymmetric Systems – Nonlinear Transformation of the Surface Fraction in the Residual Part | J. Rarey, T. Naidoo, D. Ramjugernath | IEC Research, in preparation | |
| Model Evaluation for the Prediction of Solubility in Complex Pharmaceutical Molecules | K. Moodley, J. Rarey, D. Ramjugernath | In preparation | |
| 2015 | |||
| Estimation of the Normal Boiling Point and Vapor Pressure of Non-Electrolyte Organic Compounds via Group Contributions and Group Interactions – Revision and Extension II | J. Champion, J. Rarey, D. Ramjugernath | In preparation | |
| Estimation of Pure Component Properties, Part 6: Estimation of the Surface Tension of Non-Electrolyte Organic Liquids via Group Contributions | E. Olivier, J. Rarey, D. Ramjugernath | In preparation | |
| Estimation of Pure Component Properties, Part 5: Estimation of the Thermal Conductivity of Non-Electrolyte Organic Liquids via Group Contributions | O. Govender, J. Rarey, D. Ramjugernath | to be submitted | |
| Group Contribution Method for the Prediction of the Infinite Dilution Activity Coefficient of Non-Electrolyte Organic Compounds in Saturated Hydrocarbons | B. Moller, J. Rarey, D. Ramjugernath | In preparation | |
| Group Contribution Method for the Prediction of the Infinite Dilution Activity Coefficient of Non-Electrolyte Organic Compounds in Water | B. Moller, J. Rarey, D. Ramjugernath | In preparation | |
| 2013 | |||
| 2015 | |||
| 2014 | |||
| 2014 | |||
| 2013 | Estimation of the Vapor Pressure of Non-Electrolyte Organic Compounds via Group Contributions and Group Interactions – Revision and Extension | B. Moller, J. Rarey, D. Ramjugernath | under revision |
| 2013 | |||
| 2013 | On the Calculation of Activity Coefficients: Proposed Hybrid Methodology for Group Contribution Methods | B. J. Satola, J. Rarey, D. Ramjugernath |
AIChE J., submitted for publication (8-2013) |
| 2014 | Extrapolation/Interpolation of Infinite Dilution Activity Coefficient As Well As Liquid and Solid Solubility between Solvents: Part 1. Alkane Solvents | B. Moller, J. Rarey, D. Ramjugernath |
Volume 361, 15 January 2014, Pages 69–82 |
| 2013 | Prediction of the solubility of selected pharmaceuticals in water and alcohols with a group contribution method | A. Pelczarska, D. Ramjugernath, J. Rarey, U. Domańska |
J. Chem. Thermod. 62, (2013), 118-129 http://dx.doi.org/10.1016/j.jct.2013.02.007 |
| 2013 | Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds – Part II: C18 fatty acids | P. C. Belting, J. Rarey, J. Gmehling, R. Ceriani, O. Chiavone-Filho, A. J.A. Meirelles | J. Chem. Thermod. 60, (2013), 142-149 |
| 2012 | Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds: Saturated fatty acids | P. C. Belting, J. Rarey, J. Gmehling, R. Ceriani, O. Chiavone-Filho, A. J.A. Meirelles | J. Chem. Thermod. 55, (2012), 42-49 http://dx.doi.org/10.1016/j.jct.2012.06.009 |
| 2009 | Group Contribution Prediction of Surface Charge Density Distribution of Molecules for COSMO- SAC | Mu T., Rarey J., Gmehling J. | AIChE J., 55, 12, 3298 3300 (2009) |
| 2009 | Factual Data Banks and their Application to the Synthesis and Design of Chemical Processes and the Development and Testing of Thermophysical Property Estimation Methods | Rarey J., Gmehling J. | Pure Appl.Chem., 81, 10, 1745 1768 (2009) |
| 2009 | Recommended NRTL Model Parameters by Simultaneous Correlation of VLE, Infinite Dilution Activity Coefficients and Excess Enthalpy Data | Tochigi K., Rarey J., Gmehling J. | J.Chem.Eng.Japan, 42, 6, 376 380 (2009) |
| 2009 | 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. | Fluid Phase Equilib., 281 (2), 97 119 (2009) |
| 2009 | Application of COSMO-RS Type Models to the Prediction of Excess Enthalpies | Constantinescu D., Rarey J., Gmehling J. | Ind.Eng.Chem.Res., 277, 1,8710-8725 (2009) |
| 2008 | Reply to: Comments on Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries | Mu T., Rarey J., Gmehling | Ind.Eng.Chem.Res., 47, 3, 989 989 (2008) |
| 2008 | Estimation of the vapour pressure of non-electrolyte organic compounds via group contributions and group interactions | Moller B., Rarey J., Ramjugernath D. | J.Mol.Liq., 143, 1, 52 63 (2008) |
| 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. | Fluid Phase Equilib., 269(1-2), 117-133 (2008) |
| 2007 | Estimation of pure component properties Part 2. Estimation of critical property data by group contribution | Nannoolal Y., Rarey J., Ramjugernath J. | Fluid Phase Equilib., 252, 1-2, 1 27 (2007) |
| 2007 | Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries | Mu T., Rarey J., Gmehling J. | Ind.Eng.Chem.Res., 46, 20, 6612 6629 (2007) |
| 2007 | Group Contribution Prediction of Surface Charge Density Profiles for COSMO-RS(Ol) | Mu T., Rarey J., Gmehling J. | AIChE J., 53, 12, 3231 3240 (2007) |
| 2007 | 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. | Pure Appl.Chem., 79, 5, 883 894 (2007) |
| 2006 | Prediction of Liquid Heat Capacities by the Group Contribution Equation of State VTPR | Diedrichs A., Rarey J., Gmehling J. | Fluid Phase Equilib., 248, 1, 56 69 (2006) |
| 2005 | Extended Flexibility for GE Models and Simultaneous Description of Vapor-Liquid Equilibrium and Liquid-Liquid Equilibrium using a Nonlinear Transformation of the Concentration Dependence | Rarey J. | Ind.Eng.Chem.Res., 44, 19, 7600 7608 (2005) |
| 2004 | 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. | Fluid Phase Equilib., 226, 1, 45 63 (2004) |
| 2002 | A new method for the estimation of the normal boiling point of non-electrolyte organic compounds | Cordes W., Rarey J. | Fluid Phase Equilib., 201, 19, 409 433 (2002) |
| 2000 | Computer-Controlled Vibrating Tube Densimeter for Liquid Density Measurement in a Wide Temperature and Pressure Range | Ihmels C., Aufderhaar C., Rarey J., Gmehling J. | Chem.Eng.Technol., 23, 5, 409 412 (2000) |
| 1999 | Vapor-Liquid Equilibria and Vapor Pressure Data for the Systems Ethyl tert-Butyl Ether + Ethanol and Ethyl tert-Butyl Ether and Water | Rarey J., Horstmann S., Gmehling J. | J.Chem.Eng.Data, 44, 3, 532 538 (1999) |
| 1999 | Isothermal Vapor-Liquid Equilibrium and Excess Enthalpy Data for the Binary Systems Diethyl Ether + Ethyl tert-Butyl Ether, 1-Pentene + Methyl Acetate, and Propene + 2-Propanol | Horstmann S., Gardeler H., Boelts R., Rarey J., Gmehling J. | J.Chem.Eng.Data, 44, 3, 383 387 (1999) |
| 1999 | Computergestuetzte Messung von Fluessigkeitsdichten in einem weiten Temperatur- und Druckbereich | Ihmels E.C., Fiege C., Rarey J., Gmehling J. | Chem.Ing.Tech., 71, 6, 605 609 (1999) |
| 1999 | Vapor-Liquid Equilibria and Vapor Pressure Data for the Systems Ethyl tert-Butyl Ether + Ethanol and Ethyl tert-Butyl Ether and Water | Rarey J., Horstmann S., Gmehling J. | J.Chem.Eng.Data, 44, 3, 532 538 (1999) |
| 1998 | Vapor-liquid equilibria at six temperatures from 313.15 K to 402.15 K and excess enthalpy data at 363.15 K and 1.65 Mpa for the system toluene + 2,2,4- trimethylpentane (isooctane) | Gardeler H., Horstmann S., Tsuboi A., Toba S., Rarey J., Gmehling J. | Eldata Int.Electron.J.Phys.-Chem.Data, 4, 1, 1 10 (1998) |
| 1998 | Vapor-liquid equilibria at six temperatures from 313.15 K to 402.15 K and excess enthalpy data at 363.15 K and 1.65 Mpa for the system toluene + 2,2,4- trimethylpentane (isooctane) | Gardeler H., Horstmann S., Tsuboi A., Toba S., Rarey J., Gmehling J. | Eldata Int.Electron.J.Phys.-Chem.Data, 4, 5, 1 10 (1998) |
| 1996 | Vapor-liquid equilibria for the system water + tert.-pentanol at 4 temperatures | Fischer K., Shulgin I., Rarey J., Gmehling J. | Fluid Phase Equilib., 120, 5, 143 165 (1996) |
| 1996 | Vapor-liquid equilibria for the system water + tert.-pentanol at 4 temperatures | Fischer K., Shulgin I., Rarey J., Gmehling J. | Fluid Phase Equilib., 120, 4, 143 165 (1996) |
| 1995 | Entwicklung von Modellen und Korrelationen zur Beschreibung von Reinstoffeigenschaften | Rarey J., Cordes W., Neumann S., Kraehenbuehl M.A., Gmehling J. | Chem.Ing.Tech., 67, 7, 907 912 (1995) |
| 1995 | Simultane Korrelation der Daten | Rarey J.R. | Unpublished Data, 25, 3, 1 7 (1995) |
| 1994 | Vapor-Liquid and Liquid-Liquid Equilibria for the Toluene + 1,2-Propanediol + Water System | Fele L., Fermeglia M., Alessi P., Rarey J.R., Golob J. | J.Chem.Eng.Data, 39, 4, 735 741 (1994) |
| 1993 | Computergesteuertes statistisches Ebulliometer zur Bestimmung zuverlaessiger Dampf-/Fluessig-Gleichgewichtsdaten | Rarey J., Gmehling J. | Chem.Ing.Tech., 65, 3, 308 310 (1993) |
| 1993 | Computer-Operated Differential Static Apparatus for the Measurement of Vapor-Liquid Equilibrium Data | Rarey J., Gmehling J. | Fluid Phase Equilib., 83, 10, 279 287 (1993) |
| 1993 | Vapour Pressure of Ethyl tert-Butyl Ether | Rarey J. | Private Communication, 6, 3, 1 2 (1993) |
| 1991 | Experimentelle und theoretische Untersuchung zur Beschreibung von fluessigen Nichtelektrolytsystemen | Rarey J.R. | Thesis, 50, 4, 0 0 (1991) |
| 1989 | The Dortmund Data Bank: A Computerized System for Retrieval, Correlation, and Prediction of Thermodynamic Properties of Mixtures | Onken U., Rarey-Nies J., Gmehling J. | Int.J.Thermophys., 10, 3, 739 747 (1989) |
| 1989 | Ermittlung Optimaler Modellparameter zur Beschreibung des realen Verhaltens von Nichtelektrolytsystemen durch simultane Anpassung an verschiedene Thermodynamische Daten | Rarey-Nies J.R., Tiltmann D., Gmehling J. | Chem.Ing.Tech., 61, 5, 407 410 (1989) |
| 1988 | Gas Solubility Data Bank for further Development of Phase Equilibrium Models | Molnar-Jobbagy M., Rarey-Nies J., Gmehling J. | Fluid Phase Equilib., 42, 4, 185 194 (1988) |
| 1986 | Darstellung des Dampf-Fluessig-Gleichgewichtsverhaltens von Formaldehyd-Wasser-Methanol Systemen | Rarey J. | Master’s Thesis, 5, 3, 1 152 (1986) |
| 1984 | Test der modifizierten UNIFAC-Methode zur Vorhersage von Dampf-Flüssig-Gleichgewichten, Aktivitätskoeffizienten bei unendlicher Verdünnung und Exzeßenthalpie-Daten | Rarey J. | Student Research Project, 55, 12, 1 75 (1984) |
