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Publications Influence

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

- M. Heier, S. Stephan, Jinlu Liu, Walter G Chapman, H. Hasse, K. Langenbach
- Physics
- 19 March 2018

ABSTRACT An equation of state is presented for describing thermodynamic properties of the Lennard-Jones truncated and shifted (LJTS) potential with a cut-off radius of 2.5 σ. It is developed using… Expand

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

- S. Stephan, K. Langenbach, H. Hasse
- Materials Science, Medicine
- The Journal of chemical physics
- 6 May 2019

A systematic study of interfacial properties of binary mixtures of simple fluids was carried out by molecular dynamics (MD) simulation and density gradient theory (DGT). The fluids are described by… Expand

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

- S. Stephan, Jinlu Liu, K. Langenbach, Walter G Chapman, H. Hasse
- Chemistry, Materials Science
- 5 October 2018

The vapor–liquid interface of the Lennard-Jones truncated and shifted (LJTS) fluid with a cutoff radius of 2.5σ is investigated for temperatures covering the range between the triple point and the… Expand

15

Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory

- S. Becker, S. Werth, M. Horsch, K. Langenbach, H. Hasse
- Chemistry
- 15 November 2016

Abstract Data on the interfacial tension and adsorption are reported for the binary mixture of ethanol + carbon dioxide (CO2) as well as for pure ethanol. The data are obtained from experiments,… Expand

17- PDF

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

- S. Werth, Maximilian Kohns, K. Langenbach, M. Heilig, M. Horsch, H. Hasse
- Chemistry
- 15 November 2016

Abstract Interfacial and bulk properties of vapor-liquid equilibria (VLE) in systems containing toluene, hydrogen chloride (HCl), and carbon dioxide (CO 2 ) are studied by molecular dynamics… Expand

18- PDF

Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE)

- K. Langenbach
- Chemistry
- 31 December 2017

Abstract In chemical engineering often functional groups like OH, C O, or NH x with an asymmetric charge distribution occur. Aside from polar interactions, such groups often show H-bonding… Expand

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Surface Wetting with Droplets: A Phase Field Approach

- Felix Diewald, Charlotte Kuhn, +4 authors R. Müller
- Mathematics
- 1 December 2017

Felix Diewald1,∗, Charlotte Kuhn2, Michaela Heier3, Martin Horsch3, Kai Langenbach3,4, Hans Hasse3, and Ralf Müller1 1 Institute of Applied Mechanics, University of Kaiserslautern, Kaiserslautern,… Expand

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

- S. Stephan, K. Langenbach, H. Hasse
- Materials Science
- 1 October 2018

In separation processes not only thermodynamic bulk but also interfacial properties play a crucial role. In classical theory, a vapour-liquid interface is a two-dimensional object. In reality it is a… Expand

4- PDF

Influence of different alcohols on the swelling behaviour of hydrogels

- D. Althans, K. Langenbach, S. Enders
- Chemistry
- 10 January 2012

The swelling equilibrium of cross-linked poly(N-isopropylacrylamide) (PNIPAAm) hydrogels in alcohol solutions as a function of temperature, alcohol concentration, kind of alcohol (C1OH–C3OH) and gel… Expand

9

Multi-criteria Optimization for Parameterization of SAFT-type Equations of State for Water

- E. Forte, Jakob Burger, K. Langenbach, H. Hasse, M. Bortz
- Mathematics
- 2018

Finding appropriate parameter sets for a given equation of state to describe different properties of a certain substance is an optimization problem with conflicting objectives. Such problem is… Expand

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