Explore the words cloud of the ENRICO project. It provides you a very rough idea of what is the project "ENRICO" about.
The following table provides information about the project.
Coordinator |
TECHNISCHE UNIVERSITAET KAISERSLAUTERN
Organization address contact info |
Coordinator Country | Germany [DE] |
Project website | http://enrico.mv.uni-kl.de/ |
Total cost | 2˙498˙750 € |
EC max contribution | 2˙498˙750 € (100%) |
Programme |
1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC)) |
Code Call | ERC-2015-AdG |
Funding Scheme | ERC-ADG |
Starting year | 2016 |
Duration (year-month-day) | from 2016-10-01 to 2021-09-30 |
Take a look of project's partnership.
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1 | TECHNISCHE UNIVERSITAET KAISERSLAUTERN | DE (KAISERSLAUTERN) | coordinator | 2˙498˙750.00 |
Techniques for separating fluid mixtures are important in many industries like the chemical and pharmaceutical industry. The most relevant of these separation techniques, like distillation and absorption, are based on mass transfer over fluid interfaces. Results from molecular thermodynamics, which have recently become available, show that for many industrially important mixtures a strong enrichment of components occurs at the fluid interface. There is a striking congruence between shortcomings of the present design methods for fluid separations and the occurrence of that enrichment. It is the central hypothesis of the present research that the enrichment leads to a mass transfer resistance of the fluid interface which has to be accounted for in fluid separation process design. The fact that it is presently neglected causes unnecessary empiricism and inconsistencies in the design. ENRICO will advance the knowledge on the enrichment of components at fluid interfaces using a novel combination of two independent theoretical methods, namely molecular simulations with force fields on one side and density gradient theory coupled with equations of state on the other. This will enable reliable predictions of the occurrence of the enrichment and its magnitude. These results will be combined with the theory of irreversible thermodynamics to establish for the first time a model for the mass transfer resistance of the interface due to the enrichment. On that basis, a new approach for designing fluid separation processes will be developed in ENRICO, which will lead to more efficient and robust designs. The theoretical results will be validated by experiments from laboratory to pilot plant scale, and the benefits of the new approach will be demonstrated. ENRICO will thus establish a link between molecular physics and engineering practice. The results from ENRICO will have a major impact on chemical engineering world-wide and change the way fluid separation processes are designed.
year | authors and title | journal | last update |
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2019 |
Simon Stephan, Hans Hasse Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures published pages: 1-14, ISSN: 0026-8976, DOI: 10.1080/00268976.2019.1699185 |
Molecular Physics | 2020-02-06 |
2020 |
Simon Stephan, Hans Hasse Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids published pages: , ISSN: 2470-0045, DOI: 10.1103/physreve.101.012802 |
Physical Review E 101/1 | 2020-02-06 |
2019 |
Simon Stephan, Monika Thol, Jadran Vrabec, Hans Hasse Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment published pages: 4248-4265, ISSN: 1549-9596, DOI: 10.1021/acs.jcim.9b00620 |
Journal of Chemical Information and Modeling 59/10 | 2020-02-06 |
2020 |
Daniel Bellaire, Hendrik Kiepfer, Kerstin Münnemann, Hans Hasse PFG-NMR and MD Simulation Study of Self-Diffusion Coefficients of Binary and Ternary Mixtures Containing Cyclohexane, Ethanol, Acetone, and Toluene published pages: , ISSN: 0021-9568, DOI: 10.1021/acs.jced.9b01016 |
Journal of Chemical & Engineering Data | 2020-02-06 |
2018 |
Michaela Heier, Simon Stephan, Jinlu Liu, Walter G. Chapman, Hans Hasse, Kai Langenbach Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics published pages: 1-12, ISSN: 0026-8976, DOI: 10.1080/00268976.2018.1447153 |
Molecular Physics | 2019-06-13 |
2017 |
Alexander Keller, Kai Langenbach, Hans Hasse Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixtures published pages: 31-36, ISSN: 0378-3812, DOI: 10.1016/j.fluid.2017.04.009 |
Fluid Phase Equilibria 444 | 2019-06-13 |
2019 |
Simon Stephan, Kai Langenbach, Hans Hasse Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory published pages: 174704, ISSN: 0021-9606, DOI: 10.1063/1.5093603 |
The Journal of Chemical Physics 150/17 | 2019-06-07 |
2019 |
Simon Stephan, Martin T. Horsch, Jadran Vrabec, Hans Hasse MolMod – an open access database of force fields for molecular simulations of fluids published pages: 1-9, ISSN: 0892-7022, DOI: 10.1080/08927022.2019.1601191 |
Molecular Simulation | 2019-06-06 |
2018 |
Simon Stephan, Jinlu Liu, Kai Langenbach, Walter G. Chapman, Hans Hasse Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory published pages: 24705-24715, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.8b06332 |
The Journal of Physical Chemistry C 122/43 | 2019-05-10 |
2018 |
Simon Stephan, Kai Langenbach, Hans Hasse Enrichment of Components at Vapour-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory published pages: 295-300, ISSN: 2283-9216, DOI: 10.3303/cet1869050 |
Chemical Engineering Transactions 69 | 2019-05-10 |
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