Posters and Presentations
2021
O. Grossmann, D. Bellaire, N. Hayer, F. Jirasek, H. Hasse:
Establishment of a Database and Prediction of Diffusion Coefficients at Infinite Dilution (Poster)
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
N. Hayer, F. Jirasek, H. Hasse:
Prediction of Henry's Law Constants by Matrix Completion (Poster)
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
D. Schäfer, M. Kohns, H. Hasse:
Molecular Modeling and Simulation of Aqueous Solutions of Alkali Nitrate Salts (Poster),
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
D. Schäfer, S. Stephan, K. Langenbach, H. Hasse:
Mass Flux Through Vapor-Liquid Interfaces: A Molecular Simulation Study
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
S. Schmitt, S. Stephan, H. Hasse:
A Comparison of Classical Force Fields for the Prediction of Transport Properties of Lubricants (Poster)
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
J. Staubach, S. Stephan, H. Hasse:
Interfacial Properties of Polar Model Fluids: A Study by MD and DGT (Poster),
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
J. Staubach, S. Stephan, H. Hasse:
Investigation of the Enrichment at Vapor-Liquid Interfaces (Poster)
Thermodynamik-Kolloquium, Web-Conference, 27.-29.09.2021.
F. Jirasek, H. Hasse:
Prediction of Activity Coefficients with Matrix Completion Methods
Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.
J. Staubach, S. Stephan, H. Hasse:
Interfacial Properties of Phase Equilibria of Different Types and their Connection to the Phase Diagram
Symposium on Thermophysical Properties, Web-Conference, 20.-25.06.2021.
F. Jirasek, J. Damay, R. Alves, R. Vandermeulen, R. Bamler, M. Bortz, M. Kloft, S. Mandt, H. Hasse:
Prediction of Activity Coefficients with Machine Learning
31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.07.2021.
N. Hayer, F. Jirasek, H. Hasse:
Prediction of Henry's Law Constants by Matrix Completion (Poster)
31st European Symposium on Applied Thermodynamics (ESAT), Web-Conference, 05.-09.072021.
O. Großmann, S. Stephan, K. Langenbach, H. Hasse:
Properties of Vapor-Liquid Interfaces: Molecular Simulations, Density Gradient Theory, and Experiments
International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.
D. Schäfer, S. Stephan, K. Langenbach, H. Hasse:
Mass Flux Through Vapor-Liquid Interfaces: A Molecular Simulation Study
International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.
S. Schmitt, S. Stephan, H. Hasse:
A Comparison of Classical Force Fields for the Prediction of Transport Properties of Lubricants (Poster)
International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.
J. Staubach, M. Heier, S. Stephan, K. Langenbach, H. Hasse:
Wetting and Adsorption of Binary Mixtures on a Planar Wall (Poster)
International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.
J. Staubach, S. Stephan, H. Hasse:
Interfacial Properties of Polar Model Fluids: A Study by MD and DGT (Poster)
International Workshop on Molecular Modeling and Simulation, Web-Conference, 01.-02.03.2021.
2020
2019
D. Bellaire, H. Hasse, K. Münnemann:
Self- and Transport Diffusion Coefficients from NMR Experiments (Poster)
Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM), Kaiserslautern, 31.01.-01.02.2019.
D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse:
NMR Measurements and Molecular Simulation of Self-Diffusion Coefficients in Binary and Ternary Mixtures Containing Toluene, Acetone, Cyclohexane and Ethanol (Poster),
Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.
D. Bellaire, K. Münnemann, H. Hasse:
Self- and Transport Diffusion Coefficients from NMR Experiments (Poster)
Diffusion Fundamentals, Erlangen, 01.-05.09.2019.
J. Damay, R. Alves, F. Jirasek, R. Vandermeulen, M. Bortz, M. Kloft, H. Hasse:
Machine Learning in Thermodynamics: A Matrix Completion Method for the Prediction of Activity Coefficients at Infinite Dilution
Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.
O. Großmann, S. Stephan, J. Butz, K. Langenbach, H. Hasse:
Interfacial Properties and Gas Solubility of Binary Mixtures (Poster)
Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.
H. Hasse:
Molecular Simulations in the Chemical Industry: Toys or Tools? (Invited Lecture)
Workshop Evonik, Hanau, 21.11.2019.
H. Hasse, M. Bortz:
Digitalisierung in der Verfahrenstechnik (Invited Lecture)
DFG Rundgespäch Chemische und Thermische Verfahrenstechnik, Dechema, Frankurt, 27.02.2019.
M. Heier, F. Diewald, R. Merz, K. Langenbach, M. Kopnarski, R. Müller, H. Hasse:
Adsorption und Benetzung an Bauteiloberflächen
5. Tag der Verfahrenstechnik, Kaiserslautern, 17.10.2019.
S. Stephan, O. Großmann, D. Schäfer, K. Langenbach, H. Hasse:
Enrichment of Components at Vapor-Liquid Interfaces: Origin and Influence on Mass Transfer
Thermodynamik Kolloquium, Duisburg, 30.09.-02.10.2019.
S. Stephan, H. Hasse, M. T. Horsch, J. Vrabec:
The Database of the Molecular Models of the Boltzmann-Zuse Society (Poster)
EMMC-eSSENCE, Uppsala, Sweden, 03.-05.06.2019.
S. Stephan, H. Hasse, M. T. Horsch, J. Vrabec:
The Database of the Molecular Models of the Boltzmann-Zuse Society (Poster)
EMMC International Workshop, Vienna, Austria, 25.-27.02.2019.
S. Stephan, K. Langenbach, H. Hasse:
Enrichment of Components at Vapour-liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory
Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Membrantechnik, Potsdam, 27.-29.03.2019.
2018
D. Bellaire, H. Kiepfer, K. Münnemann, H. Hasse:
NMR Measurements and Molecular Simulation of Self-Diffusion Coefficients in Binary and Ternary Mixtures Containing Toluene, Acetone, Cyclohexane and Ethanol (Poster)
Small Molecule NMR Conference (SMASH), Philadelphia, Pennsylvania, USA, 16.-19.09.2018.
A. Friebel, B. Ripka, H. Hasse, K. Münnemann:
Signal Enhanced Medium-field NMR Spectroscopy by Parahydrogen Induced Polarization (PHIP) (Poster)
International Conference on Nuclear Hyperpolarization (HYP), Southampton, UK, 02.-05.09.2018.
H. Hasse:
Digitalization in Thermodynamics (Invited Lecture)
30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.
H. Hasse:
Digitalization in Thermodynamics (Invited Lecture)
Theoretical Chemistry Seminar of the University of Chemical Technology, Prague, Czech Republic, 12.06.2018.
H. Hasse:
Digitalization in Thermodynamics (Invited Lecture)
International Workshop on Mathematical Methods in Process Engineering (MMPE), Kaiserslautern, 06.-07.09.2018.
H. Hasse:
Systematic Errors in Molecular Simulation (Invited Lecture)
Final Scientific Conference of SFB 716 "Dynamic Simulation of Systems with Large Particel Numbers", Heidelberg, 24.-26.09.2018.
H. Hasse:
Microscale Morphology of Component Surfaces (Invited Lecture)
International Symposium on Process Signatures, Bremen, 13.-14.11.2018.
M. Heier, M. Horsch, F. Diewald, K. Langenbach, R. Müller, H. Hasse:
Systematic Molecular Dynamics Simulation Study of Adsorption and Contact Angles in Dispersive Systems
30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.
M. Heier, M. Horsch, F. Diewald, K. Langenbach, R. Müller, H. Hasse:
Systematic Molecular Dynamics Simulation Study of Adsorption and Contact Angles in Dispersive Systems
20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.
M. Heier, J. Liu, W. G. Chapman, K. Langenbach, H. Hasse:
Comprehensive Study of Adsorption on Planar Walls in Dispersive Systems with Molecular Dynamics Simulations
Thermodynamik-Kolloquium, Kassel, 26.-28.09.2018.
M. Lautenschläger, H. Hasse:
Influence of the Solid-Fluid Adsorption Interaction on Thermal, Caloric and Transport Properties of Fluids: A NEMD Study of Lennard-Jones Systems (Poster),
CECAM Workshop "Collective Behavior of Soft and Active Matter Under Confinement", Mainz, 24.-26.09.2018.
S. Stephan, M. T. Horsch, J. Vrabec, H. Hasse:
Molecular Models of the Boltzmann Zuse Society (Poster)
20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.
S. Stephan, K. Langenbach, H. Hasse:
Interfacial Properties of Binary Lennard-Jones Mixtures by Molecular Simulation and Density Gradient Theory
30th European Symposium on Applied Thermodynamics (ESAT), Prague, Czech Republic, 10.-13.06.2018.
S. Stephan, K. Langenbach, H. Hasse:
Enrichment of Components at Vapor-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory
Distillation & Absorption, Florence, Italy, 16.-19.09.2018.
S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse:
Vapor-liquid Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid: A Comparative Study by Molecular Simulation
DFT, and DGT, 20th Symposium on Thermophysical Properties, Boulder, Colorado, USA, 24.-29.06.2018.
S. Stephan, J. Liu, K. Langenbach, W. G. Chapman, H. Hasse:
Vapor-liquid Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid: A Comparative Study by Molecular Simulation
DFT, and DGT, Workshop Fundamental Theoretical Approaches to the Equation of State, Manchester, UK, 08.01.2018.
2017
H. Hasse, J. Lenhard:
Die Krise der Reproduzierbarkeit in den exakten Wissenschaften. Computersimulationen und die Identität mathematischer Modelle (Invited Lecture)
The Science and Art of Simulation, Bad Boll, 02.-03.11.2017.
S. Stephan, K. Langenbach:
Interfacial Properties of Mixtures of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and Equation of State Combined with Density Gradient Theory
Thermodynamik Kolloquium, Dresden, 27.-29.09.2017.
S. Stephan, M. Heier, K. Langenbach, H. Hasse:
Interfacial Properties of Mixtures of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and a New Equation of State Combined with Density Gradient Theory
Thermodynamics, Edinburgh, UK, 05.-08.09.2017.
A. Keller, K. Langenbach, H. Hasse:
Comparison of Predictions of the PC-SAFT Equation of State and Molecular Simulations for the Metastable Region of Binary Mixtures
Thermodynamics Edinburgh, UK, 05.-08.09.2017.
H. Hasse:
Systematic Errors in Molecular Simulation: A Round Robin Study (Invited Lecture)
Scientific Workshop of the European Materials Modeling Council (EMMC), Uppsala, Sweden, 14.-15.06.2017.
M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, A. Klein, K. Leonhard, J. Vrabec, H. Hasse:
Round Robin Study of Molecular Simulation Programs
29th European Symposium on Applied Thermodynamics, Bucharest, Romania, 18.-21.05.2017.
S. Stephan, M. Heier, K. Langenbach, H. Hasse:
Interfacial Properties of the Lennard-Jones Truncated and Shifted Fluid by Molecular Simulations and a New Equation of State Combined with Density Gradient Theory
29th European Symposium on Applied Thermodynamics (ESAT), Bucharest, Romania, 18.-21.05.2017.
H. Hasse:
Molecular Simulation and Process Simulation (Invited Lecture)
ProcessNet Arbeitsausschuss Modellgestützte Prozessentwicklung und –optimierung, Leverkusen, 12.05.2017.
S. Stephan, M. Heier, K. Langenbach, H. Hasse:
Parameterization of an Equation of State for the Lennard-Jones Truncated and Shifted Fluid for the Description of Interfacial Properties by Density Gradient Theory and Comparison with Molecular Simulations (Poster)
SAFT, Heidelberg, 11.-13.06.2017.
M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E. Garcia, G. Rutkai, G. Raabe, A. Klein, K. Leonhard, J. Vrabec, H. Hasse:
Round Robin Study of Molecular Simulation Programs
International Workshop on Molecular Modelling and Simulation, Frankfurt, 09.-10.03.2017.
M. Horsch, S. Werth, K. Stöbener, P. Klein, K. H. Küfer, H. Hasse:
Multicriteria Optimization of Force Field Models for Molecular Simulation of Interfacial and Bulk Properties
Indo-German Conference on Modelling, Simulation, and Optimization, Bankura, India, 23.02.2017.
S. Stephan, K. Langenbach, H. Hasse:
Enrichment of Components at Interfaces in Fluid Separations
Tag der Verfahrenstechnik, Kaiserslautern, 16.10.2017.
S. Stephan, K. Langenbach, H. Hasse:
Enrichment at Vapor-liquid Interfaces: Comparison between DGT + PeTS & Molecular Simulations SAFT Workshop, Houston, Texas, USA, 2017.
E. von Harbou, A. Friebel, K. Münnemann, H. Hasse:
In-situ Measurement of Physico-Chemical Properties of Liquids by Benchtop Nuclear Magnetic Resonance Spectroscopy
16ème Congrès de la Société Française de Génie des Procédés, Nancy, France, 12.07.2017.
E. von Harbou, A. Brächer, A. Scheithauer, J. Berje, J. Neuhaus, H. Hasse:
NMR Spectroscopy as a Tool for Process Development and Optimization (Invited Lecture)
PANIC, Hilton Head Island, USA, 20.-23.02.2017.
E. von Harbou, A. Brächer, A. Scheithauer, J. Berje, H. Hasse:
Quantitative NMR Spectroscopy as a Tool for Process Development (Invited Lecture)
NMRPM, Kaiserslautern, 19.-20.01.2017.