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Investigation of the Density Dependence of the Influence Parameter

International journal of thermophysics, 2023-12, Vol.44 (12), Article 173

2023

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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

Journal of physical chemistry. C, 2018-11, Vol.122 (43), p.24705-24715

2018

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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 and engineering data, 2020-10, Vol.65 (10), p.5071-5072

2020

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Achieving Convergence in Multiphase Multicomponent Density Gradient Theory Calculations through Regularization

Industrial & engineering chemistry research, 2024-07

2024

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Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) for Mixtures: Molecular Orientations

Journal of chemical and engineering data, 2024-02, Vol.69 (2), p.400-413

2024

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Assessment of Approaches towards the Relative Permittivity of Mixtures

Journal of chemical and engineering data, 2024-03

2024

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Systematic study of vapour-liquid equilibria in binary mixtures of fluids with different polarity from molecular simulations

Molecular physics, 2022-12, Vol.120 (24)

2022

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Vapor‐liquid interfacial properties of binary mixtures from molecular simulation and density gradient theory

AIChE journal, 2024-06

2024

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Relative Permittivity of Stockmayer-Type Model Fluids from MD Simulations and COFFEE

Journal of chemical and engineering data, 2020-12, Vol.65 (12), p.5891-5896

2020

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Mass Transfer through Vapor–Liquid Interfaces Studied by Non-Stationary Molecular Dynamics Simulations

The journal of physical chemistry. B, 2023-03, Vol.127 (11), p.2521-2533

2023

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Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall

Langmuir, 2021-06, Vol.37 (24), p.7405-7419

2021

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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

Molecular physics, 2018-08, Vol.116 (15-16), p.2083-2094

2018

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Multi‐criteria optimization for parameterization of SAFT‐type equations of state for water

AIChE journal, 2018-01, Vol.64 (1), p.226-237

2018

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Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls

Journal of chemical and engineering data, 2021-10, Vol.66 (10), p.3722-3734

2021

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Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Journal of chemical and engineering data, 2020-03, Vol.65 (3), p.1222-1233

2020

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Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064701-064701

2018

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Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers

Journal of chemical and engineering data, 2017-11, Vol.62 (11), p.4027-4031

2017

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On the simultaneous description of h-bonding and dipolar interactions with point charges in force field models

AIChE journal, 2015-09, Vol.61 (9), p.2926-2932

2015

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Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls

Journal of chemical and engineering data, 2019-02, Vol.64 (2), p.386-394

2019

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Influence of different alcohols on the swelling behaviour of hydrogels

Molecular physics, 2012-06, Vol.110 (11-12), p.1391-1402

2012

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Associating lattice cluster theory and application to modeling oleic acid + formic acid + formoxystearic acid

AIChE journal, 2019-02, Vol.65 (2), p.783-791

2019

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NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid

Industrial & engineering chemistry research, 2019-04, Vol.58 (14), p.5622-5630

2019

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Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 [sigma] based on perturbation theory and its applications to interfacial thermodynamics

Molecular physics, 2018-08, Vol.116 (15-16), p.2083

2018

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Component Surfaces: Manufacturing-Morphology-Property Relationships

1, 2023

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Development of an equation of state incorporating molecular architecture

Langenbach, Kai

2013

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Investigation of the Density Dependence of the Influence Parameter

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

Correction to “Relative Permittivity of Dipolar Model Fluids from Molecular Simulation and from the Co-Oriented Fluid Functional Equation for Electrostatic Interactions”

Achieving Convergence in Multiphase Multicomponent Density Gradient Theory Calculations through Regularization

Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) for Mixtures: Molecular Orientations

Assessment of Approaches towards the Relative Permittivity of Mixtures

Systematic study of vapour-liquid equilibria in binary mixtures of fluids with different polarity from molecular simulations

Vapor‐liquid interfacial properties of binary mixtures from molecular simulation and density gradient theory

Relative Permittivity of Stockmayer-Type Model Fluids from MD Simulations and COFFEE

Mass Transfer through Vapor–Liquid Interfaces Studied by Non-Stationary Molecular Dynamics Simulations

Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall

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

Multi‐criteria optimization for parameterization of SAFT‐type equations of state for water

Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls

Adsorption in Purely Dispersive Systems from Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state

Solubility of Carbon Dioxide in Poly(oxymethylene) Dimethyl Ethers

On the simultaneous description of h-bonding and dipolar interactions with point charges in force field models

Molecular Dynamics Study of Adsorption of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls

Influence of different alcohols on the swelling behaviour of hydrogels

Associating lattice cluster theory and application to modeling oleic acid + formic acid + formoxystearic acid

NMR Spectroscopic Study of Chemical Reactions in Mixtures Containing Oleic Acid, Formic Acid, and Formoxystearic Acid

Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 [sigma] based on perturbation theory and its applications to interfacial thermodynamics

Component Surfaces: Manufacturing-Morphology-Property Relationships

Development of an equation of state incorporating molecular architecture

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