If your aim is to improve the sustainability or quality of a product, then you know the importance of how molecules behave. This knowledge is obtained by molecular modeling and thermodynamics. The session "Industrial Use of Thermodynamics" (IUT) is to show and discuss the present and future developments in this field.


A large drive for industrial innovation is created by the need for more efficient and eco-friendly processes. The increased use of molecular principles in thermodynamic applications makes that this science becomes a primary field for new concepts and applications:

1. The thermodynamic principles coupled with statistical mechanical concepts and readily available computer power allows a detailed understanding of atomic and molecular scale phenomena, using increasingly realistic models. The simultaneous use of meso-scale and macro-scale methods opens multiscale simulation of complex processes yielding a key tool to assist process design.

2. These simulation methods have also led to the development of new semi-theoretical equations of state that make it possible to introduce increased predictive power into the process simulators, and open the way for true product design methodologies.

3. The scope of the experimental developments is also enhanced through the increased use of complementary data (calorimetry, spectroscopy, etc.) so as to ensure a coherent and complete picture of the microscopic fluid structure and macroscopic phase behavior.

The present session aims at providing to the industrial experts a clear vision into the opportunities that lie within this rapidly developing interdisciplinary field, in which efforts from natural sciences and engineering are combined. It provides a unique opportunity for exchanging ideas with academic experts thus participating to the definition of a vision for future developments.



  • Jean-Charles de Hemptinne (IFPEN, France), Chairman
  • Ioannis Economou (Texas A&M, Qatar)
  • Ralf Dohrn (Bayer, Germany)
  • Georgios Kontogeorgis (Danish Technical University, Denmark)
  • Eric Hendriks (Shell, The Netherlands)
  • Gerard Krooshof (DSM, The Netherlands)
  • Hans Fraaije (Culgi, The Netherlands)
  • Michael Kleiber (ThyssenKrupp Uhde GmbH, Germany)
  • Philippe Arpentinier (Air Liquide, France)
  • Richard Szczepanski (InfoChem-KBC, United Kingdom)
  • Thijs J.H. Vlugt (Delft University of Technology, The Netherlands)



The session is an initiative of the European EFCE « Thermodynamics and Transport Properties » working party.

The focus is to allow exchange of ideas and develop synergies between industrial and academic participants. We want to focus on the needs of the industrials, both large companies and Small and Medium Enterprises (SME) that we believe are the transformers of academic developments into large-scale industrial applications.



Following general subjects will be of special interest. Any application of these subjects to chemical engineering thermodynamic subjects will be considered.

Knowledge management

Understanding the physico-chemical phenomena at hand is the basis of any innovation. This is also the very reason why researchers get together at ESAT. Yet, from the industrial point of view, this point may require a specific attention: because of the wide scope of knowledge needed to run or design a process, it may not be possible to have access to experts that are sufficiently educated to take full advantage of the outcome of research. Several points can be raised: how do companies envision the role of experts and their education? (is there a job market for PhDs?); Is there a need for continuing education, and to what level?; Is the chemical engineering education appropriate to today’s needs?

Data management

Data is the heart of all physico-chemical understanding and development. Databases exist, and many data are available, but they often either do not cover the need of new processes or are too scattered. How to best exploit existing data; how to evaluate consistency; what data are most crucial for new measurements? These are essential questions that industry is daily faced with. Also, a new question now exists regarding the relevance of considering experiments in silico as equivalent to lab experiments.

Tools availability

The new developments of the research community will not be used by the industrial partners unless they are made available in simulation tools. Hence, an active collaboration of software provider companies seems essential. How do these companies decide on introducing a new model in their software; how do researchers collaborate with these; how do industrial companies make sure that they have the most adequate model for their problem. It seems interesting to share on this subject.



TWO SESSIONS (duration 2 hours each)
  • Tuesday 8/7 afternoon
  • Wednesday 9/7 morning

Each of these sessions will feature one industrial invited speaker and selected submissions. The presentations will focus on examples (case-studies) where the use of thermodynamic approaches has made a real difference. To submit an abstract for this session, please go to Abstract Submission and select the topic/section "Industrial use of Thermodynamics."

INDUSTRIAL STANDS (during the poster session)

Any participant who wishes to propose a stand so as to increase its visibility will be invited to do so. The fee includes 1 full-paying participant and a table with internet connection. The stands will be featured together with the posters. For more information on sponsoring, click here. Please contact for more information.


A round table discussion will be held as a plenary session on wednesday morning (1 hour). It will focus on the three questions presented above:

  • What new approaches can bring significant innovation to industry?
  • What type of data would bring most value to the existing databases?
  • What is the role of service and software companies to facilitate knowledge transfer?

At the ESAT2014 conference, we would like to stimulate interactions between young researchers (PhD students and postdocs) and industrial participants, as many young researchers will apply for jobs in industry in the near future. To this end, an Industrial Networking Session is organized.