Universität Innsbruck

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 2022

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Heinen, Matthias; Hoffmann, Marco; Diewald, Felix; Seckler, Steffen; Langenbach, Kai; Vrabec, Jadran (2022): Droplet coalescence by molecular dynamics and phase-field modeling.
    In: Physics of Fluids 34/4, No. 042006. (DOI) (Weblink)

  • Marx, Joshua; Kohns, Maximilian; Langenbach, Kai (2022): Systematic study of vapour–liquid equilibria in binary mixtures of fluids with different polarity from molecular simulations. Abstract
    For engineering applications, one of the most important characteristics of fluid mixtures is the vapour–liquid equilibrium (VLE). Knowledge of the VLE of mixtures containing simple model components like Lennard-Jones (LJ) and Stockmayer (ST) fluids can offer insight into how different modes of molecular interaction shape the phase behaviour of mixtures. However, studies investigating such mixtures are still scarce in the literature, especially for mixtures with an LJ fluid as the high boiling substance. In this work, the VLE of mixtures consisting of LJ and ST fluids are studied with molecular simulation using the Grand Equilibrium method. The energy parameter and length parameter of the LJ fluids and the dipole moments of the ST fluids are varied systematically to generate different types of mixtures. These mixtures are investigated within a broad temperature range. VLE envelopes and molarities are reported as well as additional data on the bubble and dew line including enthalpies, chemical potentials, and activity coefficients. These data fill a gap in the literature by furthering the understanding of how polarity affects phase behaviour in mixtures and are therefore of critical importance, e.g. for the development of theoretical approaches for the description and prediction of phase behaviour for polar mixtures.
    In: Molecular Physics. (DOI) (Weblink)

Vorträge 2022

Präsentationen auf Kongressen, Tagungen o.Ä.

Konferenzvortrag (auf Einreichung / Anmeldung)
  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Kohns, Maximilian; Langenbach, Kai: Co-Oriented Fluid Functional Equation for Electrostatic Interactions (COFFEE) for Mixtures: Phase Behavior and Fluid Structure in Mixtures of Differently Polar Fluids.
    AIChE Annual Meeting 2022, Phoenix, AZ, 14.11.2022. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Kohns, Maximilian; Langenbach, Kai: Phase Equilibria in Mixtures of Differently Polar Fluids: Molecular Simulation
    and Perturbation Theory.
    ProcessNet and DECHEMA-BioTechNet Jahrestagung 2022, Aachen, 13.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Theorie und Molekulare Simulationen der Dampf-Flüssigkeitsgleichgewichte von Mischungen verschieden polarer Fluide.
    Thermodynamik-Kolloquium 2022, Chemnitz, 27.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Vapor-Liquid Equilibria of Mixtures of Fluids with Different Polarity.
    32nd European Symposium on Applied Thermodynamics 2022, Graz, 19.07.2022. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Fluid Structure and Phase Equilibria in Mixtures of Fluids with Different Polarity.
    Jahrestreffen der ProcessNet-Fachgruppen Extraktion, Phytoextrakte und Membrantechnik, Frankfurt, 23.05.2022. (Weblink)

  • <i>Vortragende/r:</i> Wachsmann, Christian <i>Co-AutorInnen:</i> Langenbach, Kai: Dynamische Untersuchung von dispersen Systemen mit Hilfe des Navier-Stokes-Korteweg-Ansatzes.
    Thermodynamik-Kolloquium 2022, Chemnitz, 26.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Wachsmann, Christian <i>Co-AutorInnen:</i> Langenbach, Kai: Investigation of disperse Systems using the Navier-Stokes-Korteweg approach.
    ProcessNet and DECHEMA-BioTechNet Jahrestagung 2022, Aachen, 15.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Wachsmann, Christian <i>Co-AutorInnen:</i> Langenbach, Kai: Investigation of droplet and bubble coalescence using the Navier-Stokes-Korteweg approach with the PeTS equation of state.
    32nd European Symposium on Applied Thermodynamics 2022, Graz, 19.07.2022. (Weblink)

  • <i>Vortragende/r:</i> Yip, Joe-Hin <i>Co-AutorInnen:</i> Langenbach, Kai: Untersuchung der transienten Diffusion mit irreversibler Thermodynamik und Molekulardynamik-Simulation.
    Thermodynamik-Kolloquium 2022, Chemnitz, 27.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Yip, Joe-Hin <i>Co-AutorInnen:</i> Langenbach, Kai: Transient diffusion investigated with irreversible thermodynamics and
    molecular simulations.
    ProcessNet and DECHEMA-BioTechNet Jahrestagung 2022, Aachen, 15.09.2022. (Weblink)

Posterpräsentation
  • <i>Vortragende/r:</i> Mühlegger, Eva <i>Co-AutorInnen:</i> Langenbach, Kai: Dichteabhängigkeit des Einflussparameters bei der Dichtegradiententheorie.
    Thermodynamik-Kolloquium 2022, Chemnitz, 27.09.2022. (Weblink)

  • <i>Vortragende/r:</i> Wachsmann, Christian <i>Co-AutorInnen:</i> Heinen, Matthias; Diewald, Felix; Vrabec, Jadran; Langenbach, Kai: Investigation of droplet and bubble coalescence using Navier-Stokes-Korteweg approach.
    Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Hochdruckverfahrenstechnik 2022, Frankfurt, 03.05.2022. (Weblink)

  • <i>Vortragende/r:</i> Yip, Joe-Hin <i>Co-AutorInnen:</i> Langenbach, Kai: Transient diffusion investigated with irreversible thermodynamics and molecular simulation.
    32nd European Symposium on Applied Thermodynamics 2022, Graz, 18.07.2022. (Weblink)

Publikationen 2021

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Heier, Michaela; Diewald, Felix; Müller, Ralf; Langenbach, Kai; Hasse, Hans (2021): Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls.
    In: Journal of Chemical & Engineering Data 66/10, S. 3722 - 3734. (Volltext) (DOI) (Weblink)

  • Heier, Michaela; Merz, Rolf; Becker, Stefan; Langenbach, Kai; Kopnarski, Michael; Hasse, Hans (2021): Experimental Study of the Influence of the Adsorbate Layer Composition on the Wetting of Different Substrates with Water.
    In: Adsorption Science and Technology 2021, No. 666398. (DOI) (Weblink)

  • Heier, Michaela; Stephan, Simon; Diewald, Felix; Müller, Ralf; Langenbach, Kai; Hasse, Hans (2021): Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall.
    In: Langmuir 37/24, S. 7405 - 7419. (Volltext) (DOI) (Weblink)

  • Kohns, Maximilian; Marx, Joshua; Langenbach, Kai (2021): Critical assessment of perturbation theories for the relative permittivity of dipolar model fluids.
    In: Chemical Engineering Science 245, Nr. 116875. (DOI) (Weblink)

  • Stephan, Simon; Schaefer, Dominik; Langenbach, Kai; Hasse, Hans (2021): Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study.
    In: Molecular Physics 119/3, No. e1810798. (DOI) (Weblink)

Zeitschriftenaufsatz (Review)
  • Fingerhut, Robin; Guevara-Carrion, Gabriela; Nitzke, Isabel; Saric, Denis; Marx, Joshua; Langenbach, Kai; Prokopev, Sergei; Celny, David; Bernreuther, Martin; Stephan, Simon; Kohns, Maximilian; Hasse, Hans; Vrabec, Jadran (2021): ms2: A molecular simulation tool for thermodynamic properties, release 4.0.
    In: Computer Physics Communications 262, No. 107860. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Diewald, Felix; Heier, Michaela; Lautenschläger, Martin; Kuhn, Charlotte; Langenbach, Kai; Hasse, Hans; Müller, Ralf (2021): Phase Field Simulations of Wetting Based on Molecular Simulations.
    In: Proceedings in Applied Mathematics and Mechanics (PAMM) 20/1, No. ee202000035. (DOI) (Weblink)

  • Langenbach, Kai (2021): Adsorption in a phase field model for wetting.
    In: Proceedings in Applied Mathematics and Mechanics (PAMM) 21/1, No. e202100145. (DOI) (Weblink)

  • Langenbach, Kai (2021): Phase Field Modeling of Dynamic Surface Wetting informed by Molecular Simulations.
    In: Proceedings in Applied Mathematics and Mechanics (PAMM) 21/1, No. e202100051. (DOI)

Vorträge 2021

Präsentationen auf Kongressen, Tagungen o.Ä.

Konferenzvortrag (auf persönliche Einladung)
  • <i>Vortragende/r:</i> Diewald, Felix; Langenbach, Kai: Multiscale modeling and simulation of wetting of component surfaces.
    International Conference on Microscale Morphology of Component Surfaces (MICOS 2021), Online, 03.03.2021. (Weblink)

Konferenzvortrag (auf Einreichung / Anmeldung)
  • <i>Vortragende/r:</i> Großmann, O. <i>Co-AutorInnen:</i> Stephan, S.; Langenbach, Kai; Hasse, H.: Properties of Vapor-Liquid Interfaces: Molecular Simulations, Density Gradient Theory,
    and Experiments.
    International Workshop on Molecular Modeling and Simulation, Online Event, 02.03.2021. (Weblink)

  • <i>Vortragende/r:</i> Kohns, Maximilian <i>Co-AutorInnen:</i> Marx, Joshua; Langenbach, Kai: Molecular Thermodynamics Approach to the Relative Permittivity.
    21st Symposium on Thermophysical Properties, Boulder, CO, USA (online), 21.06.2021. (Weblink)

  • <i>Vortragende/r:</i> Kohns, W.; Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Molecular Thermodynamics Approach to the Relative Permittivity.
    International Workshop on Molecular Modeling and Simulation, Online Event, 01.03.2021. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Molecular Orientation Structure: Molecular Dynamics Simulation and Perturbation Theory.
    Thermodynamik-Kolloquium 2021, Frankfurt am Main, online, 27.09.2021. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Thermodynamics and Orientation Structure in Binary Mixtures of Fluids with Different Polarity.
    13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology (ECCE/ECAB 2021), Frankfurt am Main, online, 22.09.2021. (Weblink)

  • <i>Vortragende/r:</i> Marx, Joshua <i>Co-AutorInnen:</i> Langenbach, Kai: Molecular Orientation Structure and Thermodynamics in Mixtures of Fluids with Different
    Polarity.
    International Workshop on Molecular Modeling and Simulation, Online Event, 01.03.2021. (Weblink)

  • <i>Vortragende/r:</i> Schaefer, D. <i>Co-AutorInnen:</i> Stephan, S.; Langenbach, Kai; Hasse, H.: Mass Flux Through Vapor-Liquid Interfaces: A Molecular Simulation Study.
    International Workshop on Molecular Modeling and Simulation, Online Event, 02.03.2021. (Weblink)

  • <i>Vortragende/r:</i> Wolf, Jana <i>Co-AutorInnen:</i> Diewald, Felix; Heier, Michaela; Staubauch, Jens; Langenbach, Kai; Hasse, Hans; Müller, Ralf: Adsorption in a phase field model for wetting.
    91th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2020/21), Kassel, online, 18.03.2021. (Weblink)

Posterpräsentation
  • <i>Vortragende/r:</i> Staubach, J. <i>Co-AutorInnen:</i> Heier, M.; Stephan, S.; Langenbach, Kai; Hasse, H.: Wetting and Adsorption of Binary Mixtures on a Planar Wall.
    International Workshop on Molecular Modeling and Simulation, Online Event, 01.03.2021. (Weblink)

  • <i>Vortragende/r:</i> Wachsmann, Christian <i>Co-AutorInnen:</i> Langenbach, Kai: A Navier Stokes Korteweg investigation of the static and dynamic behavior of bubbles in a surrounding liquid.
    Thermodynamik-Kolloquium 2021, Frankfurt am Main, online, 29.09.2021. (Weblink)

Gastvorträge

Gastvortrag
  • <i>Vortragende/r:</i> Langenbach, Kai: Current mathematical and numerical challenges in thermal separation science.
    Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen - Nürnberg, 06.09.2021.

Publikationen 2020

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Kohns, Maximilian; Marx, Joshua; Langenbach, Kai (2020): Relative Permittivity of Stockmayer-Type Model Fluids from MD Simulations and COFFEE.
    In: Journal of Chemical & Engineering Data 65/12, S. 5891 - 5896. (DOI) (Weblink)

  • Langenbach, Kai; Kohns Maximilian (2020): Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions.
    In: Journal of Chemical & Engineering Data 65/3, S. 980 - 986. (DOI) (Weblink)

  • Liu, Jinlu; Heier, Michaela; Chapman, Walter G.; Langenbach, Kai (2020): Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory.
    In: Journal of Chemical & Engineering Data 65/3, S. 1222 - 1233. (DOI) (Weblink)

  • Stephan, Simon; Becker, Stefan; Langenbach, Kai; Hasse, Hans (2020): Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory.
    In: Fluid Phase Equilibria 518/SI, No.112583. (DOI) (Weblink)

Zeitschriftenbeitrag (Correction: Selbstkorrektur)
  • Langenbach, Kai; Kohns, Maximilian (2020): Correction to “Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions”.
    In: Journal of the American Chemical Society 65/10, S. 5071 - 5072. (DOI) (Weblink)

Publikationen 2019

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Diewald, Felix; Lautenschlaeger, Martin P.; Stephan, Simon; Langenbach, Kai; Kuhn, Charlotte; Seckler, Steffen; Bungartz, Hans-Joachim; Hasse, Hans; Müller, Ralf (2019): Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient.
    In: Computer Methods In Applied Mechanics And Engineering 361, No. 112773. (DOI) (Weblink)

  • Fröscher, Agnes; Langenbach, Kai; von Harbou, Erik; Thiel, Werner R.; Hasse, Hans (2019): NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid.
    In: Industrial & Engineering Chemistry Research 58/14, S. 5622 - 5630. (DOI) (Weblink)

  • Stephan, Simon; Langenbach, Kai; Hasse, Hans (2019): Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory.
    In: The Journal of Chemical Physics 150/17, No. 174704. (DOI) (Weblink)

Publikationen 2018

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Diewald, Felix; Heier, Michaela; Horsch, Martin; Kuhn, Charlotte; Langenbach, Kai; Hasse, Hans; Müller, Ralf (2018): Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state.
    In: The Journal of Chemical Physics 149/6, No. 064701. (DOI) (Weblink)

  • Diewald, Felix; Kuhn, Charlotte; Heier, Michaela; Langenbach, Kai; Horsch, Martin; Hasse, Hans; Müller, Ralf (2018): Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors.
    In: Computational Materials Science 141, S. 185 - 192. (DOI) (Weblink)

  • Fröscher, Agnes; Langenbach, Kai; von Harbou, Erik; Hasse, Hans (2018): Associating lattice cluster theory and application to modeling oleic acid + formic acid + formoxystearic acid.
    In: AIChE Journal 65/2, S. 783 - 791. (DOI) (Weblink)

  • Langenbach, Kai; Heilig, M.; Horsch, M.; Hasse, H. (2018): Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.
    In: The Journal of Chemical Physics 148/12, No. 124702. (DOI) (Weblink)

  • Stephan, Simon; Langenbach, Kai; Hasse, Hans (2018): Enrichment of components at vapour - Liquid interfaces: A study by molecular simulation and density gradient theory.
    In: Chemical EngineeringTransactions 69, S. 295 - 300. (DOI) (Weblink)

  • Stephan, Simon; Liu, Jinlu; Langenbach, Kai; Chapman, Walter G.; Hasse, Hans (2018): Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory.
    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter 122/43, S. 24705 - 24715. (DOI) (Weblink)

Zeitschriftenaufsatz (Review)
  • Vrabec, Jadran; Bernreuther, Martin; Bungartz, Hans-Joachim; ..., ...; Langenbach, Kai; et al (2018): SkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry.
    In: Chemie Ingenieur Technik 90/3, S. 295 - 306. (DOI) (Weblink)

Zeitschriftenbeitrag (Proceedings Paper)
  • Heier, Michaela; Diewald, Felix; Horsch, Martin T.; Langenbach, Kai; Müller, Ralf; Hasse, Hans (2018): Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls.
    In: Journal of Chemical & Engineering Data 64/2 (SI), S. 386 - 394. (DOI) (Weblink)

  • Heier, Michaela; Stephan, Simon; Liu, Jinlu; Chapman, Walter G.; Hasse, Hans; Langenbach, Kai (2018): 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.
    In: Molecular Physics 116/15-16, S. 2083 - 2094. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Langenbach, Kai; Fröscher, A.; von Harbou, E.; Thiel, W.; Hasse, H. (2018): Associating Lattice Cluster Theorie zur quantitativen Vorhersage von Flüssig/flüssig‐Gleichgewichten in biobasierten Systemen.
    In: Chemie Ingenieur Technik 90/9, S. 1251 - 1252. (DOI) (Weblink)

Publikationen 2017

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Forte, Esther; Burger, Jakob; Langenbach, Kai; Hasse, Hans; Bortz, Michael (2017): Multi‐criteria optimization for parameterization of SAFT‐type equations of state for water.
    In: AIChE Journal 64/1, S. 226 - 237. (DOI) (Weblink)

  • Keller, Alexander; Langenbach, Kai; Hasse, Hans (2017): Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixtures.
    In: Fluid Phase Equilibria 444, S. 31 - 36. (DOI) (Weblink)

  • Langenbach, Kai (2017): Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE).
    In: Chemical Engineering Science 174, S. 40 - 55. (DOI) (Weblink)

  • Schappals, Michael; Breug-Nissen, Tanja; Langenbach, Kai; Burger, Jakob; Hasse, Hans (2017): Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers.
    In: Journal of Chemical & Engineering Data 62/11, S. 4027 - 4031. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Diewald, Felix; Kuhn, Charlotte; Heier, Michaela; Langenbach, Kai; Hasse, Hans; Müller, Ralf (2017): Surface Wetting with Droplets: A Phase Field Approach.
    In: Proceedings in Applied Mathematics and Mechanics (PAMM) 17/1, S. 501 - 502. (DOI) (Weblink)

Publikationen 2016

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Becker, Stefan; Werth, Stephan; Horsch, Martin; Langenbach, Kai; Hasse, Hans (2016): Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory.
    In: Fluid Phase Equilibria 427, S. 476 - 487. (DOI) (Weblink)

  • Langenbach, Kai; Fischlschweiger, M.; Enders, S. (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.
    In: Molecular Physics 114/18, S. 2717 - 2723. (DOI) (Weblink)

  • Walowski, Christoph; Langenbach, Kai; Browarzik, Dieter; Enders, Sabine (2016): Cloud point pressure in the system polyethylene + ethylene – Impact of branching.
    In: Fluid Phase Equilibria 428/SI, S. 38 - 47. (DOI) (Weblink)

  • Werth, Stephan; Kohns, Maximilian; Langenbach, Kai; Heilig, Manfred; Horsch, Martin; Hasse, Hans (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.
    In: Fluid Phase Equilibria 427, S. 219 - 230. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Forte, E.; Burger, J.; Langenbach, Kai; Bortz, M.; Hasse, H. (2016): Multi‐Criteria Optimization of Equations‐of‐State Models Using Water and PCP‐SAFT as an Example.
    In: Chemie Ingenieur Technik 88/9, S. 1285. (DOI) (Weblink)

  • Horsch, M.T.; Langenbach, Kai; Werth, S.J.; Eckelsbach, S.; Vrabec, J.; Hasse, H. (2016): Molecular Dynamics Simulation of Nucleation in CO2.
    In: Chemie Ingenieur Technik 88/9, S. 1286. (DOI) (Weblink)

Publikationen 2015

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Langenbach, Kai; Engin, Cemal; Reiser, Steffen; Horsch, Martin; Hasse, Hans (2015): On the simultaneous description of h‐bonding and dipolar interactions with point charges in force field models.
    In: AIChE Journal 61/9, S. 2926 - 2932. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Werth, S.; Langenbach, Kai; Horsch, M.; Hasse, H. (2015): Vorhersage der Grenzfla¨ cheneigenschaften industriellrelevanter Mischungen durch molekulare Simulationund Dichtegradiententheorie mit PC-SAFT.
    In: Chemie Ingenieur Technik 87/8 (SI), S. 1090. (DOI) (Weblink)

Publikationen 2013

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Browarzik, Dieter; Langenbach, Kai; Enders, Sabine; Browarzik, Christina (2013): Modeling of the branching influence on liquid–liquid equilibrium of binary and ternary polymer solutions by lattice–cluster theory.
    In: Journal of Chemical Thermodynamics 62, S. 56 - 63. (DOI) (Weblink)

  • Langenbach, Kai; Browarzik, Dieter; Sailer, Johannes; Enders, Sabine (2013): New formulation of the lattice cluster theory equation of state for multi-component systems.
    In: Fluid Phase Equilibria 362, S. 196 - 212. (DOI) (Weblink)

  • Langenbach, Kai; Enders, S.; Browarzik, C.; Browarzik, D. (2013): Calculation of the high pressure phase equilibrium in hyperbranched polymer systems with the lattice-cluster theory.
    In: Journal of Chemical Thermodynamics 59, S. 107 - 113. (DOI) (Weblink)

Beitrag in Proceedingsband (Abstract)
  • Walowski, C.; Langenbach, Kai; Enders, S. (2013): Modeling of CO2 scrubbing with hyperbranched polymers solutions using lattice cluster theory.
    In: American Institute of Chemical Engineers: Engineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. Volume 1. San Francisco; United States; 3 November 2013 through 8 November 2013. New York: AIChE. American Institute of Chemical Engineers., ISBN 978-163439039-2, S. 522 - 523. (Weblink)

Publikationen 2012

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Enders, Sabine; Langenbach, Kai; Schrader, Philipp; Zeiner, Tim (2012): Phase Diagrams for Systems Containing Hyperbranched Polymers.
    In: Polymers 4/1, S. 72 - 115. (DOI) (Weblink)

  • Langenbach, Kai; Enders, S. (2012): Development of an EOS based on lattice cluster theory for pure components.
    In: Fluid Phase Equilibria 331, S. 58 - 79. (DOI) (Weblink)

Zeitschriftenbeitrag (Proceedings Paper)
  • Althans, Daniel; Langenbach, Kai; Enders, Sabine (2012): Influence of different alcohols on the swelling behaviour of hydrogels.
    In: Molecular Physics 110/11-12, S. 1291 - 1402. (DOI) (Weblink)

  • Langenbach, Kai; Enders, S. (2012): Cross-association of multi-component systems.
    In: Molecular Physics 110/11-12, S. 1249 - 1260. (DOI) (Weblink)

Beitrag in Proceedingsband (Full Paper)
  • Langenbach, Kai; Enders, S. (2012): Prediction of thermodynamic properties for structural isomers by use of the Lattice Cluster Theory equation of state for pure compounds.
    In: Proceedings of the 12th AIChE Annual Meeting 2012. Pittsburgh, PA; United States; 28 October 2012 through 2 November 2012. Amsterdam [u.a.]: Elsevier., ISBN 978-081691073-1, No. 94591. (Weblink)

Publikationen 2010

Beiträge in Büchern / Zeitschriften

Zeitschriftenbeitrag (Meeting-Abstract)
  • Langenbach, Kai; Enders, S. (2010): Selbst‐ und Kreuzassoziation in Mischungen.
    In: Chemie Ingenieur Technik 82/9, S. 1376 - 1377. (DOI) (Weblink)

Publikationen 2009

Beiträge in Büchern / Zeitschriften

Zeitschriftenbeitrag (Meeting-Abstract)
  • Langenbach, Kai; Poschlad, K.; Enders, S. (2009): Berechnung des Quellverhaltens in ternären Systemen.
    In: Chemie Ingenieur Technik 81/8, S. 1078. (DOI) (Weblink)