Wissenschaftliche Referenzen

Preise und Auszeichnungen

WATT-Posterpreis Thermodynamik-Kolloquium | 2021
Auf dem diesjährigen Thermodynamik-Kolloquium wurde Doktorand Christian Wachsmann für seinen Beitrag "A Navier-Stokes-Korteweg investigation of the static and dynamic behavior of bubbles in a surrounding liquid" mit dem Preis für das beste Poster ausgezeichnet.

Arnold-Eucken-Preis vom Verein Deutscher Ingenieure (VDI) | 2020
Auszeichnung mit dem bedeutendsten, deutschen Nachwuchspreis der Verfahrenstechnik für Univ.-Prof. Dr.-Ing. Kai Langenbach als bester Nachwuchswissenschaftler im Bereich Modellierung und Simulation in der Thermodynamik.

Publikationen

Publikationen in Zeitschriften mit wissenschaftlicher Qualitätskontrolle

M. Heier, F. Diewald, R. Müller, K. Langenbach, H. Hasse, accepted,
Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls,
Journal of Chemical & Engineering Data, doi:10.1021/acs.jced.1c00350.

M. Kohns, J. Marx, K. Langenbach, 2021,
Critical Assessment of Perturbation Theories for the Relative Permittivity of Dipolar Model Fluids,
Chemical Engineering Science 245, 116875.

M. Heier, S. Stephan, F. Diewald, R. Müller, K. Langenbach, H. Hasse, 2021,
Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall,
Langmuir 37, 7405-7419.

R. Fingerhut, G. Guevara-Carriona, I. Nitzke, D. Saric, J. Marx, K. Langenbach, S. Prokopev, D. Celný, M. Bernreuther, S. Stephan, M. Kohns, H. Hasse, J. Vrabec, 2021,
ms2: A molecular simulation tool for thermodynamic properties, release 4.0,
Computer Physics Communications 262, 107860.

S. Stephan, D. Schaefer, K. Langenbach, H. Hasse, 2021,
Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study,
Molecular Physics 119, e1810798.

M. Heier, R. Merz, S. Becker, K. Langenbach, M. Kopnarski, H. Hasse, 2021,
Experimental Study of the Influence of the Adsorbate Layer Composition on the Wetting of Different Substrates with Water,
Adsorption Science & Technology 2021, 6663989.

M. Kohns, J. Marx, K. Langenbach, 2020,
Relative Permittivity of Stockmayer-Type Model Fluids from MD Simulations and COFFEE
Journal of Chemical & Engineering Data 65, 5891–5896.

K. Langenbach, M. Kohns, 2020,
Correction to “Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions”,
Journal of Chemical & Engineering Data 65, 5071-5072.

S. Stephan, S. Becker, K. Langenbach, H. Hasse, 2020,
Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory,
Fluid Phase Equilibria 518, 112583.

F. Diewald, M. Lautenschläger, S. Stephan, K. Langenbach, C. Kuhn, S. Seckler, H.-J. Bungartz, H. Hasse, R. Müller, 2020,
Molecular Dynamics and Phase Field Simulations of Droplets on Surfaces with Wettability Gradient,
Computer Methods in Applied Mechanics and Engineering 361, 112773.

J. Liu, M. Heier, W.G. Chapman, K. Langenbach, 2019,
Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory
Journal of Chemical & Engineering Data 65, 1222-1233.

K. Langenbach, M. Kohns, 2019
Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions,
Journal of Chemical & Engineering Data 65, 980–986.

S. Stephan, K. Langenbach, H. Hasse, 2019,
Interfacial Properties of Binary Lennard-Jones Mixtures by Molecular Simulation and Density Gradient Theory,
The Journal of Chemical Physics 150, 174704.

A. Fröscher, K. Langenbach, E. von Harbou, W. Thiel, H. Hasse, 2019,
NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid,
Industrial & Engineering Chemistry Research 58, 5622-5630.

M. Heier, F. Diewald, M.T. Horsch, R. Müller, K. Langenbach, H. Hasse, 2019,
Molecular dynamics study of adsorption of the Lennard-Jones Truncated and Shifted fluid on planar walls,
Journal of Chemical Engineering Data 64, 386-394.

A. Fröscher, K. Langenbach, E. von Harbou, H. Hasse, 2019,
Associating Lattice Cluster Theory and application to modeling oleic acid + formic acid + formoxystearic acid,
AIChE Journal 65, 783-791.

S. Stephan, J. Liu, K. Langenbach, W.G. Chapman, H. Hasse, 2018,
Vapor-Liquid Interface of the Lennard-Jones Truncated and Shifted fluid: Comparison of molecular simulations, density gradient theory, and density functional theory,
The Journal of Physical Chemistry C 122, 24705-24715.

F. Diewald, M. Heier, M. Horsch, C. Kuhn, K. Langenbach, H. Hasse, R. Müller, 2018,
Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state,
The Journal of Chemical Physics 149, 064701.

M. Heier, S. Stephan, J. Liu, W.G. Chapman, H. Hasse, K. Langenbach, 2018,
Equation of State for the Lennard-Jones Truncated and Shifted Fluid with rc = 2.5σ based on perturbation theory and its applications to interfacial thermodynamics,
Molecular Physics 116, 2083-2094.

K. Langenbach, M. Horsch, M. Heilig, H. Hasse, 2018,
Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory,
Journal of Chemical Physics 148, 124702.

E. Forte, J. Burger, K. Langenbach, H. Hasse, M. Bortz, 2018,
Multi-criteria optimization for parameterization of SAFT-type equations of state for water,
AIChE Journal 64, 226-237.

F. Diewald, C. Kuhn, M. Heier, K. Langenbach, M. Horsch, H. Hasse, R. Müller, 2018,
Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors, Computational Materials Science 141, 185-192.

K. Langenbach, 2017,
Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE),
Chemical Engineering Science 174, 40-55.

F. Diewald, C. Kuhn, M. Heier, M. Horsch, K. Langenbach, H. Hasse, R. Müller, 2017,
Surface wetting with droplets: A phase field approach,
Proceedings in Applied Mathematics and Mechanics 17, 501-502.

M. Schappals, K. Langenbach, J. Burger, H. Hasse, 2017,
Solubility of carbon dioxide in poly (oxymethylene) dimethyl ethers,
Journal of Chemical Engineering Data 62, 4027-4031.

A. Keller, K. Langenbach, H. Hasse, 2017,
Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixtures,
Fluid Phase Equilibria 444, 31-36.

C. Walowski, K. Langenbach, D. Browarzik, S. Enders, 2016,
Cloud point pressure in the system polyethylene + ethylene – Impact of branching,
Fluid Phase Equilibria 428, 38-47.

S. Werth, M. Kohns, K. Langenbach, M. Heilig, M. Horsch, H. Hasse, 2016,
Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT,
Fluid Phase Equilibria 427, 219-230.

S. Becker, S. Werth, M. Horsch, K. Langenbach, H. Hasse, 2016,
Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory,
Fluid Phase Equilibria 427, 476-487.

K. Langenbach, M. Fischlschweiger, S. Enders, 2016,
Prediction of the solid-liquid-liquid equilibria of linear and branched semi-crystalline poly-ethylene in solutions of diphenyl ether by Lattice Cluster Theory,
Molecular Physics 114, 2717-2723.

K. Langenbach, C. Engin, S. Reiser, M. Horsch, H. Hasse, 2015,
On the simultaneous description of H-bonding and dipolar interactions with point charges in force field models;
AIChE Journal 61 Special Issue: Tribute to Founders: John M. Prausnitz, 2926-2932.

K. Langenbach, D. Browarzik, J. Sailer, S. Enders, 2014,
New Formulation of the Lattice Cluster Theory Equation of State for Multi-Component Systems,
Fluid Phase Equilibria 362 Special Issue: International Conference on Properties and Phase Equilibria for Product and Process Design 2013, 196-212.

K. Langenbach, S. Enders, C. Browarzik, D. Browarzik, 2013,
Calculation of the high pressure phase equilibrium in hyperbranched polymer systems with the Lattice-Cluster Theory,
The Journal of Chemical Thermodynamics 59, 107-113.

D. Browarzik, K. Langenbach, S. Enders, C. Browarzik, 2013,
Modeling of the branching influence on liquid-liquid equilibrium of binary and ternary polymer solutions by lattice-cluster theory,
The Journal of Chemical Thermodynamics 62, 56-63.

S. Enders, K. Langenbach, P. Schrader, T. Zeiner, 2012,
Phase Diagrams for Systems Containing Hyperbranched Polymers,
Polymers Special Issue: Dendrimers and Hyperbranched Polymers 4, 72–115.

K. Langenbach, S. Enders, 2012,
Development of an EOS based on lattice cluster theory for pure components.
Fluid Phase Equilibria 331, 58–79.

K. Langenbach, S. Enders, 2012,
Cross-association of multi-component systems,
Molecular Physics 110, 1249–1260.

D. Althans, K. Langenbach, S. Enders, 2012,
Influence of Different Alcohols on the Swelling Behaviour of Hydrogels,
Molecular Physics 110, 1391-1402.


Sonstige Publikationen

F. Diewald, M. Heier, M. Lautenschläger, C. Kuhn, K. Langenbach, H. Hasse, R. Müller, 2021,
Phase Field Simulations of Wetting Based on Molecular Simulations,
PAMM 20, e202000035.

K. Langenbach, 2020,
Molekulare Orientierung und ihr Einfluss auf die Stoffdaten von Fluiden, 2020,
Chemie Ingenieur Technik 92, 1177.

J. Marx, K. Langenbach, 2020,
Thermodynamics and molecular orientation structure in mixtures of fluids with strongly different polarity,
Chemie Ingenieur Technik 92, 1308.

F. Diewald, M. Heier, M. Lautenschläger, M. Horsch, C. Kuhn, K. Langenbach, H. Hasse, R. Müller, 2019,
A Navier-Stokes-Korteweg Model for Dynamic Wetting based on the PeTS Equation of State,
Proceedings in Applied Mathematics and Mechanics 19, e201900091.

J. Vrabec, M. Bernreuther, H.-J. Bungartz, W.-L. Chen, W. Cordes, R. Fingerhut, C.W. Glass, J. Gmehling, R. Hamburger, M. Heilig, M. Heinen, M.T. Horsch, C.-M. Hsieh, M. Hülsmann, P. Jäger, P. Klein, S. Knauer, T. Köddermann, A. Köster, K. Langenbach, S.-T. Lin, P. Neumann, J. Rarey, D. Reith, G. Rutkai, M. Schappals, M. Schenk, A. Schedemann, M. Schönherr, S. Seckler, S. Stephan, K. Stöbener, N. Tchipev, A. Wafai, S. Werth, H. Hasse, 2018,
SkaSim – Scalable HPC-Software for molecular simulation in the chemical industry,
Chemie Ingenieur Technik 90, 295-306.

K. Langenbach, A. Fröscher, E. von Harbou, W. Thiel, H. Hasse, 2018,
Associating Lattice Cluster Theorie zur quantitativen Vorhersage von Flüssig/flüssig-Gleichgewichten in biobasierten Systemen,
Chemie Ingenieur Technik 90, 1251-1252.

M. Horsch, K. Langenbach, S. Werth, S. Eckelsbach, J. Vrabec, H. Hasse, 2016,
Molecular Dynamics Simulation of Nucleation in CO2,
Chemie Ingenieur Technik 88, 1286.

E. Forte, J. Burger, K. Langenbach, M. Bortz, H. Hasse, 2016,
Multi-Criteria Optimization of Equations-of-State Models Using Water and PCP-SAFT as an Example,
Chemie Ingenieur Technik 88, 1285.

S. Werth, K. Langenbach, M. Horsch, H. Hasse, 2015,
Vorhersage der Grenzflächeneigenschaften industriell relevanter Mischungen durch molekulare Simulation und Dichtegradiententheorie mit PC-SAFT,
Chemie Ingenieur Technik 87, 1090.

K. Langenbach, S. Enders, 2011,
Cross-Association of Multi-Component Systems, in: Wozny, G., Hady, Ł. (Eds.),
Process Engineering and Chemical Plant Design 2011. Universitätsverlag der TU Berlin, Berlin, Germany.

K. Langenbach, S. Enders, 2010,
Selbst- und Kreuzassoziation in Mischungen,
Chemie Ingenieur Technik 82, 1376–1377.

K. Langenbach, K. Poschlad, S. Enders, 2009,
Berechnung des Quellverhaltens in ternären Systemen,
Chemie Ingenieur Technik 81, 1078–1078.

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