简介：Abstract

150 years have elapsed since van der Waals proposed his now famous equation of state (EoS) which bears his name. During the first 100 years since van der Waals, research and applications were dominated by the cubic EoS, of which the most well-known are the Soave-Redlich-Kwong and Peng-Robinson ones. During the 80’s and 90’s were some of the most important improvements in this context the development of the advanced EoS/GE mixing rules (Huron-Vidal, MHV2, PSRK, Wong-Sandler, LCVM,…), where explicit activity coefficient models are implemented in the cubic equation of state via the mixing rules, especially for the energy parameter. Without any doubt, cubic EoS either with the classical or with these more advanced EoS/GE mixing rules have found widespread industrial applications, especially in the petroleum and chemical industries.

In parallel, non-cubic equations of state were already available in the 70’s and 80’s and many of them were developed based on the so-called chemical, quasi-chemical (lattice) or perturbation theories. Many of these models are summarized in recent textbooks. The degree of sophistication of several of these models is quite high, as are the expectations about their performance! Indeed, only if clearly better than cubic EoS could these more advanced models be adopted for practical applications. A major breakthrough came in the late 80’s with the advent of the SAFT theory (Statistical Associating Fluid Theory), which resulted by now in a large number of variants. Differences between the various SAFT variants are not always clear, from the practical – application point of view. Nevertheless, SAFT models have by now been applied to a wide range of systems, ranging from those of interest to oil & gas and chemicals up to pharmaceuticals, electrolytes and polymers. Their applications are not restricted to phase equilibria but also include other properties (e.g. derivative and thermal ones) as well as interfacial & adsorption phenomena.

Following a short introduction on the history of equations of state during the last three centuries, the main purpose of this lecture is to address the following questions:

• What are the capabilities and limitations of equations of state as we know them today?

• How does the performance of cubic and non-cubic EoS compare to each other?

• What is the true application spectrum of cubic and non-cubic EoS? Both in terms of systems and properties!

• Where do we stand today? What have we learnt from almost 140 work with equations of state?

• What are the future challenges and what can we expect that the future will bring?

报告人介绍：Brief Biography

Georgios M. Kontogeorgis received a M.Sc. degree in Chemical Engineering (1991) from the Technical University of Athens, Greece and a PhD (1995) from the Technical University of Denmark (DTU). He is since 1999 employed at DTU as faculty member of the Department of Chemical and Biochemical Engineering, first as associate professor and then as full professor in Applied Thermodynamics since 2011. His research and teaching interests are in the fields of applied thermodynamics, environmental engineering, colloids, interfaces and product design as well as biotechnology. He has been for more than 10 years the co-ordinator of the DTU M.Sc. education in “Advanced and Applied chemistry”. He has supervised/is supervising over 50 PhD students and post-doctoral researchers. He is the author of over 250 peer-review articles in international journals (with over 9700 citations, H-index: 51) and over 250 conference contributions/oral talks in meetings including several invited talks in various industries and academic institutions. He is also the author of several chapters in books and of four books, the most recent ones, together with Dr. G.Folas, on thermodynamic models for industrial applications (published in 2010 by Wiley) and on colloids and interfaces (with S.Kiil, published in 2016 by Wiley). He has received several awards for his research including the Empirikion Award (Greece), the Dana Lim award (Denmark) and recently the EFCE Excellence Award in Applied Thermodynamics (June 2018) and is also a recipient of an ERC Advanced Grant project (April 2019). He has also been Member of the Danish Research Council of Technology and Production Sciences (2012–2017) and has served/is serving as evaluator in research councils in 10 European countries. He is currently an editor of Fluid Phase Equlibria (and associate editor/member of editorial boards of other journals).

He is the vice-chairman of the EFCE (European Federation of Chemical Engineering) – Working party in “Thermodynamics and Transport Phenomena” (http://www.wp-ttp.dk/, http://www.wp-ttp.dk/ExecutiveBoard.html) and a member of the international steering committee of ESAT [European Symposium of Applied Thermodynamics]. He was the co-chair of the Thermodynamics 2015 conference which was held in Copenhagen, Denmark. Finally, he is since 2014 the chairman of CERE, Center for Energy Resources Engineering, www.cere.dtu.dk and since 2017 also the leader of KT-Consortium at DTU Chemical Engineering http://www.kt.dtu.dk/forskning/kt-consortium.