Year |
Citation |
Score |
2020 |
Stephan S, Schaefer D, Langenbach K, Hasse H. Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study Molecular Physics. DOI: 10.1080/00268976.2020.1810798 |
0.336 |
|
2020 |
Langenbach K, Kohns M. 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. DOI: 10.1021/Acs.Jced.9B00296 |
0.367 |
|
2020 |
Stephan S, Becker S, Langenbach K, Hasse H. Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory Fluid Phase Equilibria. 518: 112583. DOI: 10.1016/J.Fluid.2020.112583 |
0.471 |
|
2020 |
Diewald F, Lautenschlaeger MP, Stephan S, Langenbach K, Kuhn C, Seckler S, Bungartz H, Hasse H, Müller R. Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient Computer Methods in Applied Mechanics and Engineering. 361: 112773. DOI: 10.1016/J.Cma.2019.112773 |
0.393 |
|
2019 |
Stephan S, Langenbach K, Hasse H. Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory. The Journal of Chemical Physics. 150: 174704. PMID 31067907 DOI: 10.1063/1.5093603 |
0.476 |
|
2019 |
Liu J, Heier M, Chapman WG, Langenbach K. Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory Journal of Chemical & Engineering Data. 65: 1222-1233. DOI: 10.1021/Acs.Jced.9B00585 |
0.581 |
|
2019 |
Diewald F, Heier M, Lautenschläger M, Horsch M, Kuhn C, Langenbach K, Hasse H, Müller R. A Navier‐Stokes‐Korteweg Model for Dynamic Wetting based on the PeTS Equation of State Pamm. 19. DOI: 10.1002/Pamm.201900091 |
0.322 |
|
2018 |
Diewald F, Heier M, Horsch M, Kuhn C, Langenbach K, Hasse H, Müller R. Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state. The Journal of Chemical Physics. 149: 064701. PMID 30111148 DOI: 10.1063/1.5035495 |
0.451 |
|
2018 |
Langenbach K, Heilig M, Horsch M, Hasse H. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory. The Journal of Chemical Physics. 148: 124702. PMID 29604838 DOI: 10.1063/1.5022231 |
0.495 |
|
2018 |
Stephan S, Langenbach K, Hasse H. Enrichment of Components at Vapour - Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory Chemical Engineering Transactions. 69: 295-300. DOI: 10.3303/Cet1869050 |
0.46 |
|
2018 |
Stephan S, Liu J, Langenbach K, Chapman WG, Hasse H. Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory The Journal of Physical Chemistry C. 122: 24705-24715. DOI: 10.1021/Acs.Jpcc.8B06332 |
0.588 |
|
2018 |
Heier M, Diewald F, Horsch MT, Langenbach K, Müller R, Hasse H. Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls Journal of Chemical & Engineering Data. 64: 386-394. DOI: 10.1021/Acs.Jced.8B00927 |
0.358 |
|
2018 |
Langenbach K, Fröscher A, von Harbou E, Thiel W, Hasse H. Associating Lattice Cluster Theorie zur quantitativen Vorhersage von Flüssig/flüssig-Gleichgewichten in biobasierten Systemen Chemie Ingenieur Technik. 90: 1251-1252. DOI: 10.1002/Cite.201855264 |
0.321 |
|
2018 |
Vrabec J, Bernreuther M, Bungartz H, Chen W, Cordes W, Fingerhut R, Glass CW, Gmehling J, Hamburger R, Heilig M, Heinen M, Horsch MT, Hsieh C, Hülsmann M, Jäger P, ... ... Langenbach K, et al. SkaSim - Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie Chemie Ingenieur Technik. 90: 295-306. DOI: 10.1002/Cite.201700113 |
0.31 |
|
2017 |
Schappals M, Breug-Nissen T, Langenbach K, Burger J, Hasse H. Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers Journal of Chemical & Engineering Data. 62: 4027-4031. DOI: 10.1021/Acs.Jced.7B00718 |
0.379 |
|
2017 |
Keller A, Langenbach K, Hasse H. 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. DOI: 10.1016/J.Fluid.2017.04.009 |
0.394 |
|
2016 |
Langenbach K, Fischlschweiger M, Enders S. 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. DOI: 10.1080/00268976.2016.1162864 |
0.376 |
|
2016 |
Becker S, Werth S, Horsch M, Langenbach K, Hasse H. 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. DOI: 10.1016/J.Fluid.2016.08.007 |
0.415 |
|
2016 |
Werth S, Kohns M, Langenbach K, Heilig M, Horsch M, Hasse H. 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. DOI: 10.1016/J.Fluid.2016.07.016 |
0.448 |
|
2016 |
Walowski C, Langenbach K, Browarzik D, Enders S. Cloud point pressure in the system polyethylene + ethylene – Impact of branching Fluid Phase Equilibria. 428: 38-47. DOI: 10.1016/J.Fluid.2016.06.032 |
0.415 |
|
2016 |
Horsch M, Langenbach K, Werth S, Eckelsbach S, Vrabec J, Hasse H. Molecular Dynamics Simulation of Nucleation in CO2 Chemie Ingenieur Technik. 88: 1286-1286. DOI: 10.1002/Cite.201650472 |
0.335 |
|
2015 |
Werth S, Langenbach K, Horsch M, Hasse H. Vorhersage der Grenzflächeneigenschaften industriell relevanter Mischungen durch molekulare Simulation und Dichtegradiententheorie mit PC-SAFT Chemie Ingenieur Technik. 87: 1090-1090. DOI: 10.1002/Cite.201550104 |
0.303 |
|
2014 |
Langenbach K, Browarzik D, Sailer J, Enders S. New formulation of the lattice cluster theory equation of state for multi-component systems Fluid Phase Equilibria. 362: 196-212. DOI: 10.1016/J.Fluid.2013.10.009 |
0.466 |
|
2013 |
Browarzik D, Langenbach K, Enders S, Browarzik C. 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. DOI: 10.1016/J.Jct.2013.02.018 |
0.357 |
|
2013 |
Langenbach K, Enders S, Browarzik C, Browarzik D. Calculation of the high pressure phase equilibrium in hyperbranched polymer systems with the lattice-cluster theory The Journal of Chemical Thermodynamics. 59: 107-113. DOI: 10.1016/J.Jct.2012.12.002 |
0.403 |
|
2012 |
Enders S, Langenbach K, Schrader P, Zeiner T. Phase Diagrams for Systems Containing Hyperbranched Polymers Polymers. 4: 72-115. DOI: 10.3390/Polym4010072 |
0.373 |
|
2012 |
Langenbach K, Enders S. Cross-association of multi-component systems Molecular Physics. 110: 1249-1260. DOI: 10.1080/00268976.2012.668963 |
0.347 |
|
2012 |
Langenbach K, Enders S. Development of an EOS based on lattice cluster theory for pure components Fluid Phase Equilibria. 331: 58-79. DOI: 10.1016/J.Fluid.2012.06.022 |
0.427 |
|
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