Prof. h.c. (Durban) Dr. Jürgen Rarey

  • Scientific Coworker at the Carl von Ossietzky University Oldenburg

  • 1979 - 1985 Study of Chemistry, University of Dortmund

  • 1985 - 1989 Scientific co-worker in the group of Prof. Gmehling (Institute for Chemical Engineering, Univ. of Dortmund

  • 1991 PhD at University of Dortmund (Institute for Chemical Engineering)

  • since 1989 Scientific co-worker with Prof. Gmehling at University of Oldenburg

  • Director of DDBST GmbH, Oldenburg

  • since 2004 Honorary Research Fellow at the School of Chemical Engineering, University of Kwazulu-Natal, Durban, South Africa

  • since 2005 Honorary Professor (Kwazulu-Natal, Durban, South Africa)

Co-author of DECHEMA Chemistry Data Series (4 books), approx. 40 publications in scientific journals.

Short Bio:

I studied and graduated in Chemistry and did my PhD in Chemical Engineering. Built my first computer in the 3rd year of study and developed some interfacing to lab equipment and control software. Got fascinated by the possibilities of simulation and learned the importance of the correct description of basic phenomena on the outcome of simulations (garbage in - garbage out).

In 1989 near the end of my PhD study I moved to Oldenburg in northern Germany. Since April 1989 I have a permanent position at the University of Oldenburg in the group of Prof. Gmehling.

In the same year I co-founded DDBST GmbH. This company today is the most well known provider of thermophysical property data and estimation methods for process simulation and further applications in safety, environmental protection, ....

Since the 80's I teach many courses on applied thermodynamics for chemical process simulation for external participants from industry both in Oldenburg and in-house for companies in Europe, the US, Middle East, South Africa, Japan, ... (alone or together with Prof. Gmehling).

A further role in professional life is a honorary Prof. position in Durban, SA. Currently my group there consists of 4 MSc and one PhD student, all highly motivated. We developed and published estimation methods for a number of important properties like vapor pressure, liquid viscosity, water and alkane solubility, ... The first of our methods on normal boiling point is already generally regarded as the primary and best method available.

Professional Activities

Researcher at the Chair of Industrial Chemistry, University of Oldenburg, Oldenburg, Germany (since 1989)
  • lectures and tutorials in “Introduction to Industrial Chemistry”, “Chemical Processes”, Unit Operations” and “Reaction Engineering”
  • lectures on software development and mathematical methods in chemical engineering, applied thermodynamics and physical property estimation
  • regular courses in chemical process simulation using Aspen Plus
  • project management and co-supervision of BSc, MSc and PhD students as well as guests
  • regular courses “Fundamentals of Selection, Synthesis and Design of Thermal Separation Processes”
  • research in the fields of quantum chemical estimation methods for thermophysical properties of pure components and mixtures
  • research in the development of improved gE mixing rules for equations of state
  • support for the development of experimental setups for different types of measurements

Co-Founder and Managing Director of DDBST GmbH, Oldenburg, Germany

  • supervision of software development
  • customer support
  • marketing, web server development, info material, product presentations
  • development and regular improvement of a software package for the simultaneous correlation of different phase equilibrium and excess properties (RECVAL/3, sole developer)

Private Lecturer for Various Courses in German and English Language at Different Sites Worldwide (During the last 10 years about 600 participants from industry and further from academia took part in these courses, e.g. at Mitsubishi Chemical Company (Japan), DSM (The Netherlands), DOW Chemical (Germany), Ciba Speciality Chemicals (Switzerland), SABIC (Saudi Arabia), Lyondell (USA), EPCON (USA), RIPI (Iran) and many more.)

  • Grundlagen zur Auswahl, Synthese und Auslegung thermischer Trennprozesse
  • Fundamentals of Selection, Synthesis and Design of Thermal Separation Processes
  • Thermodynamische Stoffdaten für die Synthese, Auslegung und Simulation chemischer Prozesse (DECHEMA, Frankfurt)
  • DDB and Process Simulation
  • DDB-DDBSP Introduction
  • Advanced Physical Properties for Process Simulation

Honorary Research Fellow (since 2003) and Honorary Professor (2005 to 2013) at the School of Chemical Engineering, University of Kwazulu-Natal, South Africa (in Cooperation with Prof. Dr. D. Ramjugernath)

  • Development of Physical Property Estimation Methods for
    • normal boiling temperature (published, reported in Perry’s Handbook, recommended by DIPPR as primary method)
    • vapor pressure as function of temperature (published)
    • vapor-liquid critical data (published)
    • liquid viscosity (published)
    • surface tension (under development)
    • thermal conductivity (under development)
    • activity of complex molecules (pharmaceuticals, …) in common solvents (publication in preparation)
  • Improvement of GE Models by Non-Linear Transformation in Composition Space (published and in preparation)
  • Adjustable Hybrid GE Models for the Estimation of Phase Equilibria and Excess Properties for Process Simulation with Separated Treatment of Dispersive, Polar and Hydrogen-Bonding Interactions.
  • Exact GE Mixing Rule for Equations of State by G-Transformation
  • Development of Computer-Operated Equipment for the Determination of Thermophysical Properties (in Cooperation with Dr. Paramespri Naidoo)

Further research interests are in the field of experimental determination of thermophysical properties, esp. with respect to the development of modern computer-operated equipment. In the past I had already developed a high precision static aparatus, which is now in nearly continuous use for about 20 years. Several further instruments have been constructed based on this design (LTP-Oldenburg, VLE AUTOLAB).

Scientific Papers

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)

Research in Durban (ZA)

2009   Extrapolation/Interpolation of Infinite Dilution Activity Coefficient Data Between Solvents   
2009   A new group contribution method for the estimation of the surface tension of non-electrolyte organic compounds.   
2009    The Development of a Hybrid Activity Coefficient Model Utilizing the Solution of Groups Concept   
2009    Extrapolation/Interpolation of Infinite Dilution Activity Coefficient Data Between Solvents   
2009    A new group contribution method for the estimation of the surface tension of non-electrolyte organic compounds.   
2009    Activity of Complex Multifunctional Organic Compounds in Common Solvents   
2009    A New Group Contribution Method For The Estimation Of Thermal Conductivity For Non-Electrolyte Organic Compounds   
  • Poster
2009    An Improved Group Contribution Volume Translated Peng-Robinson Equation of State An Improved Group Contrinution Volume Translated Peng-Robinson Equation of State - VGTPR   
2009    A New Group Contribution Method For The Estimation Of Thermal Conductivity For Non-Electrolyte Organic Compounds   
2008    Activity of Complex Multifunctional Organic Compounds in Common Solvents Multifunctional Organic Components in Common Solvents