Excellence Award in thermodynamics and transport properties 2023 - Closing date for nominations is extended to 5 February 2023
The call for nominations for the 2023 EFCE Excellence Award in Thermodynamics and Transport Properties is now open. The Award recognises a PhD thesis and associated papers published in the preceding two-year period, which demonstrate an outstanding contribution to research and/or practice in thermodynamics and/or transport properties.
The award consists of a certificate, a cash prize of EUR 1,500, a travel grant (not exceeding EUR 500) and fee waiver to attend the International Conference on Properties and Phase Equilibria for Product and Process Design – PPEPPD 2023 (conference website: https://ppeppd.org/ppeppd2023/) which will be held in Tarragona, Spain, on 21-25 May 2023, where the award will be presented.
The Excellence Award is generously sponsored by Bayer AG.
More information available: https://efce.info/ExcellenceAwardTTP.html.
Recording of Spotlight talks in youtube
All events (including new and previous) organized by EFCE are listed here.
Previous Spotlight Talks organized by the WP:
Thermodynamic tools for CO2 capture (abstract), 3.12.2020, available in YouTube.
Electrolyte Thermodynamics challenges from industrial needs to academic research (abstract), 19.5.2021, available in YouTube.
opinion paper: "A view on the future of applied thermodynamics" based on industrial survey
"A view on the future of applied thermodynamics" is now available as open access paper. This opinion paper discusses and gives expert opinion on various topics raised in "Industrial Requirements for Thermodynamic and Transport Properties: 2020" (also open access).
Graphical abstract on the right from Ind. Eng. Chem. Res. 2022, 61, 39, 14664-14680. The authors thank Urška Linda Beuermann for the design of the graphical abstract.
Short summary of the paper in EFCE Newsletter December/2022.
Industrial Use of Thermodynamics (IUT) at ecce in berlin on 17-21 september 2023
IUT6 will be run as a Joint Satellite Session at the ECCE/ECAB meeting in Berlin on 17-21 September 2023 in collaboration with WPs CAPE and Crystallisation entitled "The Pharma Challenge: a cross-cutting perspective from the WPs CAPE, Crystallization and Thermodynamics and Transport Properties".
Previous IUT, IUT5, was held in conjunction with the 31st European Symposium on Applied Thermodynamics in Paris, in July 2021. The focus was on electrolyte thermodynamics in industry. Open access article: "Conclusions from Round Table Discussion during IUT of ESAT 2021 electrolyte thermodynamics challenges - From industrial needs to academic research".
The Properties of Gases and Liquids - 6th edition
Authors of this new edition are: J. Richard Elliott, Vladimir Diky, Thomas Knotts IV, W. Vincent Wilding
Pre-order now possible in Amazon!
The next (32nd) business meeting will be organized as hybrid meeting (physical location IFPEN, Paris, France) FRIDAY, FEBRUARY 24th 2023.
33rd European Symposium on Applied Thermodynamics - ESAT 2024
Edinburgh, UK, 9-12 June 2024
Link to ESA2024 website, abstract submission August 2023 - December 2023
2022 EFCE Michael L. Michelsen Award presented to signe kjelstrup
Press release available here.
What is thermodynamics?
Why thermodynamics and transport properties matter in process and product design?
In many industrial applications thermodynamics and transport properties are in key role in steady-state and dynamic simulations for development of new technologies as well as troubleshooting and optimization of existing processes. Bad choices in selecting thermodynamic methods or failures in the parametrization of the methods can have for example following consequences:
- not meeting the business case (for example running at lower than design capacity),
- product properties not at specification,
- exceeding the emission limits and
- having safety issues.
In product design, understanding on thermodynamics and transport properties speeds up the development of the new products and optimization of their properties.
In the parametrization of the models and methods, correct and accurate experimental data is extremely important. When experimental data is not available, predictive methods can be often applied.
Our working party focus areas are experimental measurements and modelling (both correlative and predictive) in the field of thermodynamics and transport properties.
The text below is based on our discussion in the 30th business meeting.
Why to be member of our working party
- Network with other thermodynamic experts and to be part of the international professional society.
- Know about the progress of the expertise of our group members, industrial needs and scientific advancements.
- Share and get new ideas. Catch opportunities for research collaboration.
- Recruitment: getting new employees, new PhD's and postdocs.
- Raise our profile in EFCE and national organizations.
- Rewarding to see us achieving the goals.
If you wish to follow our discussions, please join our LinkedIn group.
- Create European thermodynamic experts’ network including academia, industry, young and experienced. Networking also outside Europe.
- Organize conferences and events.
- Propose awards to young academics and professionals to promote their careers.
- Share information in conferences and publications. Provide guidelines and best practises.
- Point out needs and issues within our field. Share our views and priorities on future developments required in the field.
- Increase the visibility and understanding of importance of thermodynamics and transport properties in the society and other engineering communities. Publish position papers.
- Share views and advance the educational aspects of thermodynamics so that it is more relevant for practicing engineers.
- Taking away the fear of thermodynamics.
Task Group on Industrial Perspectives
The task group aims at promoting synergy between industrial and academic research. To that end, two surveys of industrial needs have been performed and published: survey published 2010 and survey published 2021 (open access).
Inspired by the industrial surveys, an opinion paper titled "A View on the Future of Applied Thermodynamics" was prepared and published as an open access paper. The picture below (from Ind. Eng. Chem. Res. 2022, 61, 39, 14664-14680) summarizes the main messages of the paper.
A continuous effort is required for communicating between academia and industry on the development of innovative approaches. This is why a new Symposium was launched, called Industrial Use of Thermodynamics (IUT). So far, following symposia were held:
- IUT1: InMoTher (Industrial use of Molecular Thermodynamics) was held in Lyon, France, in March 2012, with proceedings being published in OGST. On this occasion, a round table discussion was held focusing on the respective needs of industrial users, vendors and academics. Link to the open access publication.
- IUT2 was held in conjunction with the 27th European Symposium on Applied Thermodynamics (ESAT) in Eindhoven, July 2014. It was concluded with a round table discussion on needs for innovation as seen by industry. Link to the publication.
- IUT3 was held during the 10th European Congress of Chemical Engineering (ECCE10) in Nice, France, September 2015. It comprised 5 sessions, including a round table discussion on the use of thermodynamics for energy efficiency. Link to the publication.
- IUT 4 was a joined effort with the working party on Separation Processes, held during the 10th World Congress of Chemical Engineering in Barcelona, October 2017, and focused on data quality and assessment, validation methods and error propagation (open access publication).
- IUT5 was held in conjunction with the 31st European Symposium on Applied Thermodynamics in Paris, in July 2021. The focus was on electrolyte thermodynamics in industry. Link to the open access publication.
Task Group on Education
In numerous industrial settings, the proper application of thermodynamics is an essential pre-requisite for good design and optimal operations. Not only is it necessary to better characterize the compounds and processes used in current industrial applications, but also it puts us in a better position, to develop more optimal processes and purpose-specific chemicals in order to address the global challenges of sustainability, climate change and energy usage.
Here, we have collected a number of real-life cases, that have occurred in industry, to illustrate not only the importance of correct thermodynamic description, but also the considerable subtlety needed, in the application of thermodynamic models, the choice of experimental data and understanding the results that come out of ubiquitous software packages.
- Heat Exchanger Calculations – example 1
- Heat Exchanger Calculations – example 2
- Air Humidity Calculations
- Simulator Data
- The use of UNIQUAC equation
- Dynamic viscosity of liquid mixture
E. Hendriks, G. M. Kontogeorgis, R. Dohrn, J.C. de Hemptinne, I. G. Economou, L. Fele Žilnik, V. Vesovic – Industrial Requirements for Thermodynamic and Transport Properties, Ind. & Eng. Chem. Res. 49, 11131-11141, (2010).
G. M. Kontogeorgis, R. Dohrn, I. G. Economou, J.C. de Hemptinne, A. ten Kate, S. Kuitunen, M. Mooijer, L. Fele Žilnik, V. Vesovic – Industrial Requirements for Thermodynamic and Transport Properties: 2020, Ind. & Eng. Chem. Res. 60, 4987-5013, (2021).
J. Gmehling, B. Kolbe, M. Kleiber, and J. Rarey, Chemical Thermodynamics: for Process Simulation, First Edition. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA. Published 2012 by Wiley-VCH Verlag GmbH & Co. KGaA.
J. Gmehling, B. Kolbe, M. Kleiber, and J. Rarey, Chemical Thermodynamics: for Process Simulation, Second Edition. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA. Published 2012 by Wiley-VCH Verlag GmbH & Co. KGaA.
J.C. de Hemptinne, J-M. Ledanois, P. Mougin, A. Barreau, How to select a thermodynamic model for process simulation: Problem analysis in three steps, Editions Technip, 2012 (ISBN 2710809494).
M. Kleiber, Process Engineering - Addressing the gap between study and chemical industry, De Gruyter, 2016.
Useful web sites about thermodynamics
This incomplete list is a first result of the work of the members of the Working Party for Thermodynamics and Transport Properties within the EFCE who have collected a series of useful links, with emphasis on educational links. The list was then compiled by Peter Ahlström (University of Borås, Sweden). Among the contibutors are Prof Ralf Dohrn (Bayer Technology Services, Leverkusen, Germany) and Dr Juha-Pekka Pokki (Aalto University, Helsinki, Finland).
- There is a very good and comprehensive site by Prof Schwarzenhuber of the École des Mines for those of us who can read French http://nte.mines-albi.fr/ThermoPro/co/ThermoPro_html_1.html
- A long (somewhat personal) list of thermodynamics books is available at http://www.eoht.info/page/Thims’+thermodynamics+book+collection
- Marcello Castier’s YouThermo channel: https://www.youtube.com/channel/UCYNDgYUJKT6JcSzAoMitTEA
Textbook web sites
Normally these sites are accompanying the textbook and do not stand by themselves. Anyway a few of them follow here
- Elliot and Lira, Introductory Chemical Engineering Thermodynamics, 2nd ed. http://chethermo.net/
- The old site (for the 1st edition) http://www.egr.msu.edu/~lira/thermtxt.htm
- Sandler, S.I., Chemical and Engineering thermodynamics, 3rd ed, Wiley gives the supplementary Basic, Visual Basic or Mathcad files at the web page http://www.che.udel.edu/thermo/thermobook.htm
- Kontogeorgis handbook: http://bcs.wiley.com/he-bcs/Books?action=index&bcsId=5393&itemId=0470697261
- De Hemptinne website: https://view.genial.ly/5f2c0bef109c240d0308faa4/guide-applied-thermodynamics-ifp-school
- De Hemptinne's guide on thermodynamic model selection: https://view.genial.ly/617969334c81c40db6c41ec2/presentation-choose-your-model
Classes and lectures
- From MIT (lectures by W. Craig Carter) http://pruffle.mit.edu/3.00/Lecture_02_web/node2.html
- Standard reference data of NIST (the program costs and at the the page there is a webshop) http://www.nist.gov/srd/
- There is however the web-book which contains a lot of free data http://webbook.nist.gov/ (requires a Java compatible web browser)
- The Dortmund databank online search (to see if the system is measured but the search does not provide the data itself). http://www.ddbst.com/en/online/Online_DDB_Form.php
- For those who want to program their code by themselves the UNIFAC, UNIFAC-DO, PSRK, etc. parameter matrixes are here http://www.ddbst.com/ChemThermo/Parameters/default.html
Open Source Thermodynamics Program Codes and Free software
- Marcello Castier at the Texas A&M University at Qatar has made several open source codes for thermodynamics to be used in MS Excel. They are described in the published paper
M. Castier, Mohamed M. Amer, XSEOS: An evolving tool for teaching chemical engineering thermodynamics, Education for Chemical Engineers, Volume 6, Issue 2, April 2011, Pages e62-e70, ISSN 1749-7728,
Keywords: Equations of state; Excess properties; Phase equilibrium; Chemical equilibrium; Education
- The original paper is XSEOS: An open software for chemical engineering thermodynamics Chem. Eng. Educ. 42 (2008), pp. 74-81, ISSN 0009-2479
The code should be possible to download from this link http://people.qatar.tamu.edu/marcelo.castier/index.htm
It contains several xls-files but the actual source code in Visual Basic is in XSEOS-Add-in.xla
This package was nice and pretty easy to follow but the link is presently defunct
Another one is from University of Valladolid in Spain and contains MATLAB files in *.m format.
Ángel Martín, María Dolores Bermejo, Fidel A. Mato, María José Cocero, Teaching advanced equations of state in applied thermodynamics courses using open source programs, Education for Chemical Engineers, Volume 6, Issue 4, December 2011, Pages e114-e121, ISSN 1749-7728, 10.1016/j.ece.2011.08.003.
Keywords: Phase equilibrium; Open source programs; Cubic equations of state; Statistical associating fluid theory SAFT; Group contribution; Education; MATLAB; Octave
It can be downloaded from the link given in the above *.pdf paper
as a supplementary material of the paper. This is a zipped file that includes the *.m files. Those must be extracted from the *.rar file before seeing the *.m files. (using, e.g., 7-zip on a PC, for Ubuntu linux uncompression instructions arehere )
This package has a rather readable source code and a useful manual.
- Clapeyron (formerly OpenSAFT) provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC. Code available: https://github.com/ypaul21/Clapeyron.jl
- Thermodynamic databases supported by Reaktoro https://reaktoro.org/tutorials/basics/loading-databases.html
- NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. NeqSim can be used as a stand-alone tool via Excel or a web interface. It is integrated in computer programs via available interfaces in Java, Python, .NET and Matlab. The basis for NeqSim is fundamental mathematical models related to phase behaviour and physical properties of oil and gas. https://equinor.github.io/neqsimhome/
- Modeling Separation Processes (ChemSep): free ChemSep LITE with up to 40 components and 300 equilibrium stages using a database covering 400+ chemicals. http://chemsep.org/program/index.html. A free tool for performing binary VLE calculations and fitting model parameters is provided. Packages are CAPE-OPEN so that it can be used in any modern process simulator such as Pro/II, ASPEN, UNISIM Design, etc.
Working Party members
Working Party Board
Dr. Thomas Wallek
Professor Martin Wendland
Professor Marko Rogosic
University of Zagreb
Professor Karel Aim
Academy of Sciences
Professor Ivo Nezbeda
Dr. Eirini Karakatsani
Professor Georgios Kontogeorgis
Professor Vahur Oja
University of Tallin
Dr. Susanna Kuitunen (WP industrial Vice-Chair)
Dr. Juha-Pekka Pokki
Mr. Olivier Baudouin
Professor Christophe Coquelet
Ecole des Mines
Dr. Jean-Charles de Hemptinne (WP academic Vice-Chair)
Professor Jean-Noel Jaubert
Professor Ralf Dohrn
Bayer Technology Services GmbH
Professor Sabine Enders
Karlsruhe Institute of Technology
Dr. Christoph Held
Dr. Michael Kleiber
Professor Jadran Vrabec
Dr. Ulrich Westhaus
(guest - WP Secretary)
Dr. Ioannis Economou
University of Qatar
Dr. Epaminondas Voutsas
Professor Attila Imre
Budapest University of Technology
Dr. Ilya Polishuk
Professor Paolo Chiesa
Politecnico die Milano
Professor Maria Grazia De Angelis (WP Chair)
University of Edinburgh, UK
Professor Maurizio Fermeglia
University of Trieste
Dr. Miranda Mooijer
Shell Global Solutions
Dr. Antoon Ten Kate
Professor Thijs Vlugt
Professor Signe Kjelstrup
Dr. Efstathios Skouras
Professor Oivind Wilhelmsen
Dr. Kamil Paduszynski
Warsaw University of Technology
Professor Manuel de Costa Araujo Pereira Coutinho
University of Aveiro
Professor Maria Eugenia Rebello A. de Macedo
University of Porto
Dr. Isabel Marruccho
Dr. Mikhail Varfolomeev
University of Kazan
Professor Alexey Victorov
University of St. Petersburg
Professor Mirjana Kijevcanin
University of Belgrade
Professor Elena Graczova
University of Bratislava
Dr. Ljudmila Fele Zilnik
Nat. Inst. Chemistry
Professor Ana Soto
U. Santiago de Compostela
Professor Lourdes Vega
Professor Tobias Richards
University of Boras
Dr. Levente Simon
Professor Amparo Galindo
Imperial College London
Dr. Bob Low
Professor Velisa Vesovic
Imperial College London
Professor J. Richard Elliot
Dr. Paul Mathias
Professor John O'Connell
32nd Working Party Meeting
hybrid meeting, physical location IFPEN, Paris, France
|21/05/2023 - 25/05/2023
|10/09/2023 - 13/09/2023
|17/09/2023 - 21/09/2023
|09/06/2024 - 12/06/2024
33rd European Symposium of Applied Thermodynamics - ESAT 2024
|xx/xx/2024 - xx/xx/2024
The 28th Thermodynamics Conference - Thermodynamics 2024
|24/10/2022 - 27/10/2022
XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022)
|07/09/2022 - 09/09/2022
31st Working Party Meeting, on-line
|22/08/2022 - 27/08/2022
|21/08/2022 - 25/08/2022
|21/07/2022 - 22/07/2022
|07/07/2022 - 11/07/2022
30th Working Party Meeting, Annual business meeting, on-line
|5/7/2021 - 9/7/2021|
Excellence Award in ThErmodynamics and Transport Properties
Lanched in 2009, the biennial Excellence Award recognises PhD theses or associated publication(s) which demonstrate the most outstanding contribution to research and/or practice in the field of thermodynamics and/or transport properties.
- Dr. Ailo Aasen (2021)
- Dr. Mónia Martins (2019)
- Prof. Dr. Øivind Wilhelmsen (2017)
- Dr. Bjørn Maribo-Mogensen (2015)
- Dr.-Ing. Christoph Held (2013)
- Dr. Maria Francisco Casal (2011)
- Dr. Eirini Karakatsani (2009)
The call for nominations for the 2023 Excellence Award in Thermodynamics and Transport Properties is open.
Deadline: extended to 5 February 2023.
“Michael L. Michelsen” Award
The “Michael L. Michelsen” Award (previously called "Distinguished Lecture on Thermodynamics and Transport Properties", renamed in Feb. 2021) aims to honour a senior member of the community that is active in a European institution. Launched in 2012, the award is presented every two years by the EFCE Working Party on Thermodynamics and Transport Properties.
The call for nominations for the 2022 Award is closed. It was presented at ESAT 2022 held in Granz, Austria in July 2022.
- Professor Signe Kjestrup (2022)
- Professor Gabriele Sadowski (2020)
- Professor Georgios Kontogeorgis (2018)
- Professor Cornelis J. Peters (2016)
- Professor Michael L. Michelsen (2014)
- Dr. Andreas Klamt (2012)
His PhD thesis on "Bulk and interfacial thermodynamics of mixtures: From aqueous systems to ultracryogenic fluids", completed at the Department of Energy and Process Engineering, Faculty of Engineering, Norwegian University of Science and Technology (NTNU), Norway, under the supervision of Professor Øivind Wilhelmsen, achieved the best evaluation results in terms of dissemination of knowledge including quality of the publications and presentations, duration of the thesis, originality of the topic studied and of the methodology followed, innovation and industrial relevance, and scientific impact of the work.
Ailo Aasen obtained his MSc in Applied Physics and Mathematics from the Department of Mathematical Sciences, Faculty of Information Technology and Electrical Engineering, NTNU, Norway. Currently, he holds the position of research scientist and software developer for computational thermodynamics and fluid mechanics at SINTEF Energy Research.
His projects include: Thermodynamic modelling and equation-of-state development for fluid mixtures, with application to carbon capture and storage (CCS), and hydrogen liquefaction processes; Fluid-mechanical modelling for multiphase, multicomponent flow through nozzles, with special emphasis on choked flow; Unit modelling of ejectors for sizing and optimization; Designing tanks for liquid hydrogen; and Interpolation algorithms for computational thermodynamics
The award will be presented at the 31st European Symposium on Applied Thermodynamics - ESAT 2021 which take place online, from 4-7 July 2021.
Dr. Mónia Martins has been awarded the 2019 EFCE Excellence Award in Thermodynamics and Transport Properties for her excellent PhD thesis “Studies for the Development of New Separation Processes with Terpenes and their Environmental Distribution”. Read the full Press release.
PROF. DR. ØIVIND WILHELMSEN is the winner of the EFCE Excellence Award in Thermodynamics and Transport Properties 2017.
His PhD thesis on “Equilibrium and Non-equilibrium thermodynamics of planar and curved interfaces”, completed at the Norwegian University of Science and Technology (NTNU) supervision of Prof. Signe Kjelstrup, achieved the best evaluation results in terms of breadth and depth of the thesis, dissemination of knowledge, originality of the topic studied and of the methodology followed, innovation and industrial relevance, and scientific impact of the work.
Dr Maribo-Mogensen, now a Physical Property Specialist at Linde Engineering, Munich, Germany, successfully modelled an equation of state for electrolytes with applications in the oil and gas industry as part of his research.
He also developed a deeper understanding of the different models currently used for electrostatic interactions, comparing the Debye–Hückel model with the mean spherical approximation (MSA) theory.
Dr Maribo-Mogensen’s thesis has led to the development of engineering software that has substantial potential for industrial applications, such as describing the effects of electrolytes on natural gas sweetening, hydrates modelling and biofuels processing.
Dr Maribo-Mogensen said: “During the course of my PhD, I have been trying to find the right balance between making my research scientifically relevant and yet useful for industrial applications. Little did I know that the journey I started back in 2010 would lead to being the recipient of this Excellence Award."
“I am honoured to receive this recognition for my work which would not have been possible without the lasting support from my family, colleagues and supervisors. The award will motivate me to continue pursuing challenging goals and contribute to research in thermodynamics and transport properties.”
Professor Jean-Noel Jaubert, chair of the selection committee for EFCE’s Working Party on Thermodynamics and Transport Properties, said: “Dr Maribo-Mogensen’s PhD work is characterised by a pioneering, novel and highly independent work on electrolyte thermodynamics. The overall target has been to develop an electrolyte equation of state for application in the petroleum and chemical industries, including gas solubilities in mixed solvents containing salt and gas hydrate formation.
A four-year PhD research project has beaten seven other nominations for the prestigious Excellence Award awarded every two years by the European Federation of Chemical Engineering (EFCE) Working Party on Thermodynamics and Transport Properties.
Dr-Ing Christoph Held, 32, from the Technische Universität Dortmund, Germany, has been recognised for his thesis "Measuring and Modelling Thermodynamics Properties of Biological Solutions", which, on submission, received the highest possible grade of summa cum laude and has subsequently been published in nine peer-reviewed international journals.
Dr. Maria Francisco Casal, Spain, is the winner of the Excellence Award in Thermodynamics and Transport Properties 2011 of the European Federation of Chemical Engineering (EFCE). Her PhD thesis on “Desulfurization of fuel oils by solvent extraction using ionic liquids”,” completed at the University of Santiago de Compostela, Spain, under the supervision of professors Alberto Arce and Ana Soto, received the best evaluation in terms of dissemination of knowledge, originality of the topic, depth of the study, industrial relevance, and impact of the work.
Dr. Eirini Karakatsani, Greece, is the prize winner of the Excellence Award in Thermodynamics and Transport Properties 2009 of the European Federation of Chemical Engineering (EFCE).
Her excellent PhD thesis on “Development and Evaluation of a New Equation of State for Polar Fluids: Pure Components and Mixtures”, completed at the National Technical University of Athens (NTUA) under the supervision of Dr. Ioannis G. Economou, Research Director at the National Center for Scientific Research (NCSR) “Demokritos”, received the best evaluation results in terms of dissemination of knowledge, originality of the topic, depth of the study, industrial relevance, and impact of the work.
Professor Techn. Signe Kjelstrup, Norway, has been named the laureate of the 2022 EFCE Michael L. Michelsen Award. She was conferred the award by the EFCE Working Party on Thermodynamics and Transport Properties in recognition of her internationally renowned research in the area of non-equilibrium thermodynamics, with emphasis on entropy production minimization, electrochemical cell modelling, heterogeneous systems and nano-thermodynamics. Read more.
The 2020 Distinguished Lecture in Thermodynamics and Transport Properties has been awarded to Professor Gabriele Sadowski, TU Dortmund, Germany. The Federation’s Working Party on Thermodynamic and Transport Properties selected Gabriele Sadowski for her internationally recognised work related to advances of the statistical associating fluid theory (SAFT). The perturbed chain SAFT (PC-SAFT) approach, published in 2001 with Prof Joachim Groß, has had a vast impact in the capability to model complex fluids and is widely used all over the world, nowadays even in pharmaceutical industry. Read more.
“I am honoured for this recognition from the European Federation of Chemical Engineering / Working Party on Thermodynamics and Transport Properties. I see it as much more than a personal recognition but especially, as mentioned by EFCE itself, as a recognition of our efforts and leadership of industrial consortia which have thermodynamics as foundation”, says Georgios Kontogeorgis.
“With the recognition of the great results of Professor Georgios Kontogeorgis, DTU Chemical Engineering has consolidated our leading position in the important field of applied thermodynamics”, says Head of Department Kim Dam-Johansen.
The lecture was delivered at the 30th ESAT 2018 – European Symposium on Applied Thermodynamics, Prague, Czech Republic, June 10-13 2018.
Mysteries of Water Thermodynamics – Questions and some Answers
Water is the most important substance in the world; it covers two thirds of the Earth and our own cells include two thirds water by volume. Hundreds of books have been written about water and at the same time we know so little about it. In the words of Philip Ball, for many years consultant of Nature: “No one really understands water. It’s still a mystery” . Water has more than 50 exceptional physico-chemical (thermodynamic) properties which are considered “anomalous” in the sense that no other liquids behave that way (trends with temperature, pressure and composition). Among the most exciting ones are the maximum of density at 4 oC, high values of heat capacity (stabilizing Earth’s climate) and surface tension (small insects walk on water) and maxima/minima of many thermodynamic properties as function of temperature e.g. the minimum hydrocarbon solubility in water at room temperature (related to the hydrophobic effect) and the speed of sound.
What is the true reason for all these ? Maybe hydrogen bonding “in some form” and especially the hydrogen bonding structure and its changes are the prevailing explanations. But which hydrogen bonding structure ?
Numerous theories for water structure have been presented but they are all up for debate. It is unclear whether liquid water maintains the tetrahedral structure (as we know it from ice) or whether it should best be described by a two-state model, where most molecules are in the form of rings or chains  and literature is full with heated discussions [1-2]. Effects of salts , surfaces and biomolecules on water structure are not well understood. Neither molecular simulation nor advanced experimental methods have provided full answers. Direct spectroscopic and other measurements could provide quantitative information on the degree of hydrogen bonding of water but they are not in good agreement with each other and these data can be interpreted in different ways [5,6]. Promising novel association theories have problems if an unclear picture of water is the input and it is not surprising that they cannot explain many of the anomalous properties of pure water and aqueous solutions. Moreover, novel theories giving new insight have been presented, most recently the “exclusion zone” concept pioneered by G. Pollack . Where is the truth ? The purpose of this presentation is to illustrate some of the recent theories about water structure, their role in thermodynamics, try to answer some of the aforementioned questions and point out areas where further investigations are needed.
Ball, N., 2008. Water – an enduring mystery. Nature, 452, 291.
Ball, N., 2003. How to keep dry in water. Nature, 423, 25.
Wernet, Ph. et al., 2004. Science, 304, 995.
Frosch, M., Bilde, M., Nielsen, O.F., 2010. From Water Clustering to Osmotic Coefficients. J. Phys. Chem. A., 114, 11933.
Kontogeorgis, G.M., Tsivintzelis, I., von Solms N., Grenner, A., Bogh, D, Frost, M., Knage-Rasmussen, A., Economou, I.G., 2010. Use of monomer fraction data in the parametrization of association theories. Fluid Phase Equilibria, 296(2): 219-229.
Liang, X.D., Maribo-Mogensen, B., Tsivintzelis, I., Kontogeorgis, G.M., 2016. A comment on water’s structure using monomer fraction data and theories. Fluid Phase Equilibria, 407: 2-6
Pollack, G.H., 2013. The fourth phase of water. Beyond Solid, Liquid, and Vapor. Ebner & Sons Publishers, Seattle WA, USA.
Professor Peters has spent most of his career at Delft University of Technology, and continues now, after a rich contribution in The Netherlands, to mentor researchers and teachers in several universities worldwide (Petroleum Institute in Abu Dhabi, U. of Maryland, Colorado School of Mines, Petronas Technical University, Malaysia). He has been a pioneer in the design, development and optimization of new experimental methods to measure accurate thermodynamic and phase equilibrium properties. Reviews on high-pressure phase equilibria revealed that he has been one of the most active author worldwide in the last 30 years, producing highly valuable data and insight in phase behavior. In parallel, he has been a world leader in the application of theoretical models for complex fluids and molecular simulation methods to explain physical phenomena at different length and time scales.
His research has impact both in fundamental physical chemistry and thermodynamics but also in applications to industry. His most recent contributions refer to energy storage and production with emphasis on hydrogen technology, carbon capture and sequestration, novel technologies for seawater desalination using hydrates, design and optimization of new ionic liquids and deep eutectic solvents for gas separations and many others.
He has co-authored more than 250 peer-reviewed papers and 18 book chapters, he has authored / edited 6 books and has given more than 200 presentations (of which more than 50 were keynote / plenary talks) in international conferences, Universities and industry worldwide. His work has received more than 7,000 citations and has an H-index of 43. He held Professor / Visiting Professor positions in The Netherlands, Japan, Malaysia, Spain, UAE, UK and USA.
Professor Michael L. Michelsen, of the Technical University of Denmark (DTU), has been selected to deliver the latest European Federation of Chemical Engineering (EFCE) Distinguished Lecture.
The Federation’s Working Party on Thermodynamic and Transport Properties nominated Professor Michelsen in recognition of his outstanding work in the field of thermodynamics.
In a career spanning 40 years, Michelsen’s work has been influential in the energy and chemical industries, especially oil and gas exploration.
The award comprises of a certificate and €1,500 cash prize.
The European Federation of Chemical Engineering (EFCE) announces that Dr Andreas Klamt has been selected to deliver the first Distinguished Lecture in Thermodynamics and Transport Properties.
Dr Klamt’s nomination comes in recognition of his pioneering and influencing work in applied chemical engineering thermodynamics via the development of the COSMO and COSMO-RS methods.
Based on his work at the Max-Planck-Institute for Metal Research in Stuttgart, he received his PhD in 1987 with a thesis on States of small positively charged particles in metals. His career subsequently took him to Bayer AG in Leverkusen where he worked on Computational Chemistry projects, eventually specializing in solvation and physical property calculation. He developed the methods COSMO and COSMO-RS, now widely used in the computational chemistry and chemical & biochemical engineering communities.
Currently a lecturer at the Institute of Physical and Theoretical Chemistry at the University of Regensburg, Dr Klamt teaches block courses on solvation modelling and physical property predictions in solution. In 2012 he was appointed as honorary professor.
Dr Klamt will deliver the Distinguished Lecture at the 26th European Symposium on Applied Thermodynamics, Potsdam, Germany, on 7 October 2012.
Launched by the EFCE Working Party on Thermodynamics and Transport Properties, this lecture will in future be a biennial presentation that recognizes outstanding research and achievements in this specialist field.
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