Enrichment of Components at Interfaces and Mass Transfer in Fluid Separation Technologies

Informazioni relative al progetto

ENRICO

ID dell’accordo di sovvenzione: 694807

DOI

10.3030/694807

Progetto chiuso

Data della firma CE 28 Giugno 2016

Data di avvio 1 Ottobre 2016

Data di completamento 30 Settembre 2021

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale

€ 2 498 750,00

Contributo UE

€ 2 498 750,00

Coordinato da

RHEINLAND-PFALZISCHE TECHNISCHE UNIVERSITAT
Germany

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Pubblicazioni

Peer reviewed articles (17)

Review and comparison of equations of state for the Lennard-Jones fluid

Autori: Simon Stephan, Jens Staubach, Hans Hasse
Pubblicato in: Fluid Phase Equilibria, Numero 523, 2020, Pagina/e 112772, ISSN 0378-3812
Editore: Elsevier BV
DOI: 10.1016/j.fluid.2020.112772

Characteristic Curves of the Lennard-Jones Fluid

Autori: Simon Stephan, Ulrich K. Deiters
Pubblicato in: International Journal of Thermophysics, Numero 41/10, 2020, ISSN 0195-928X
Editore: Kluwer Academic/Plenum Publishers
DOI: 10.1007/s10765-020-02721-9

Diffusion Coefficients at Infinite Dilution of Carbon Dioxide and Methane in Water, Ethanol, Cyclohexane, Toluene, Methanol, and Acetone: A PFG-NMR and MD Simulation Study (accepted)

Autori: Daniel Bellaire, Oliver Großmann, Kerstin Münnemann, Hans Hasse
Pubblicato in: Journal of Chemical Thermodynamics, 2021, ISSN 0021-9614
Editore: Academic Press
DOI: 10.1016/j.jct.2021.106691

Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory

Autori: Simon Stephan, Stefan Becker, Kai Langenbach, Hans Hasse
Pubblicato in: Fluid Phase Equilibria, Numero 518, 2020, Pagina/e 112583, ISSN 0378-3812
Editore: Elsevier BV
DOI: 10.1016/j.fluid.2020.112583

Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram

Autori: Simon Stephan, Hans Hasse
Pubblicato in: Physical Chemistry Chemical Physics, Numero 22, 2020, Pagina/e 12544-12564, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d0cp01411g

Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixtures

Autori: Alexander Keller, Kai Langenbach, Hans Hasse
Pubblicato in: Fluid Phase Equilibria, Numero 444, 2017, Pagina/e 31-36, ISSN 0378-3812
Editore: Elsevier BV
DOI: 10.1016/j.fluid.2017.04.009

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

Autori: Michaela Heier, Simon Stephan, Jinlu Liu, Walter G. Chapman, Hans Hasse, Kai Langenbach
Pubblicato in: Molecular Physics, 2018, Pagina/e 1-12, ISSN 0026-8976
Editore: Taylor & Francis
DOI: 10.1080/00268976.2018.1447153

Enrichment of Components at Vapour-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory

Autori: Simon Stephan, Kai Langenbach, Hans Hasse
Pubblicato in: Chemical Engineering Transactions, Numero 69, 2018, Pagina/e 295-300, ISSN 2283-9216
Editore: AIDIC
DOI: 10.3303/cet1869050

Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Autori: Simon Stephan, Jinlu Liu, Kai Langenbach, Walter G. Chapman, Hans Hasse
Pubblicato in: The Journal of Physical Chemistry C, Numero 122/43, 2018, Pagina/e 24705-24715, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.8b06332

MolMod – an open access database of force fields for molecular simulations of fluids

Autori: Simon Stephan, Martin T. Horsch, Jadran Vrabec, Hans Hasse
Pubblicato in: Molecular Simulation, 2019, Pagina/e 1-9, ISSN 0892-7022
Editore: Taylor & Francis
DOI: 10.1080/08927022.2019.1601191

Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory

Autori: Simon Stephan, Kai Langenbach, Hans Hasse
Pubblicato in: The Journal of Chemical Physics, Numero 150/17, 2019, Pagina/e 174704, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.5093603

Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids

Autori: Simon Stephan, Hans Hasse
Pubblicato in: Physical Review E, Numero 101/1, 2020, ISSN 2470-0045
Editore: American Physical Society
DOI: 10.1103/physreve.101.012802

PFG-NMR and MD Simulation Study of Self-Diffusion Coefficients of Binary and Ternary Mixtures Containing Cyclohexane, Ethanol, Acetone, and Toluene

Autori: Daniel Bellaire, Hendrik Kiepfer, Kerstin Münnemann, Hans Hasse
Pubblicato in: Journal of Chemical & Engineering Data, 2020, ISSN 0021-9568
Editore: American Chemical Society
DOI: 10.1021/acs.jced.9b01016

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

Autori: Simon Stephan, Hans Hasse
Pubblicato in: Molecular Physics, 2019, Pagina/e 1-14, ISSN 0026-8976
Editore: Taylor & Francis
DOI: 10.1080/00268976.2019.1699185

Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment

Autori: Simon Stephan, Monika Thol, Jadran Vrabec, Hans Hasse
Pubblicato in: Journal of Chemical Information and Modeling, Numero 59/10, 2019, Pagina/e 4248-4265, ISSN 1549-9596
Editore: American Chemical Society
DOI: 10.1021/acs.jcim.9b00620

Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study

Autori: Simon Stephan, Dominik Schaefer, Kai Langenbach, Hans Hasse
Pubblicato in: Molecular Physics, Numero 119/3, 2021, Pagina/e e1810798, ISSN 0026-8976
Editore: Taylor & Francis
DOI: 10.1080/00268976.2020.1810798

Enrichment at vapour–liquid interfaces of mixtures: establishing a link between nanoscopic and macroscopic properties

Autori: Simon Stephan, Hans Hasse
Pubblicato in: International Reviews in Physical Chemistry, Numero 39/3, 2020, Pagina/e 319-349, ISSN 0144-235X
Editore: Taylor & Francis
DOI: 10.1080/0144235x.2020.1777705

Thesis and dissertations (1)

Vapor-Liquid Interfaces: Molecular Simulation, Density Gradient Theory, and Experiments

Autori: Simon Stephan
Pubblicato in: Scientific Report Series, Numero 33, 2020, ISBN 978-3-944433-32-5
Editore: Laboratory of Engineering Thermodynamics (LTD)