Simulation and Modeling

Effect of the degree of hydrogenation on the viscosity, surface tension, and density of the liquid organic hydrogen carrier system based on diphenylmethane (2022) Schmidt P, Kerscher M, Klein T, Jander JH, Bioucas F, Rüde T, Li S, et al. Journal article, Original article Influence of dissolved hydrogen on the viscosity and interfacial tension of the liquid organic hydrogen carrier system based on diphenylmethane by surface light scattering and molecular dynamics simulations (2022) Kerscher M, Klein T, Preuster P, Wasserscheid P, Koller TM, Rausch MH, Fröba AP Journal article, Original article Viscosity and Interfacial Tension of Binary Mixtures of n-Hexadecane with Dissolved Gases Using Surface Light Scattering and Equilibrium Molecular Dynamics Simulations (2021) Klein T, Lenahan F, Kerscher M, Jander JH, Rausch MH, Koller TM, Fröba AP Journal article, Original article Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations (2021) Klein T, Piszko M, Kankanamge CJ, Kasapis G, Fröba AP Journal article, Original article Viscosity, Interfacial Tension, and Density of Binary-Liquid Mixtures of n-Hexadecane with n-Octacosane, 2,2,4,4,6,8,8-Heptamethylnonane, or 1-Hexadecanol at Temperatures between 298.15 and 573.15 K by Surface Light Scattering and Equilibrium Molecular Dynamics Simulations (2021) Lenahan F, Zikeli M, Rausch MH, Klein T, Fröba AP Journal article, Original article Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Dissolved CH4, Ne, Kr, R143a, SF6, or R236fa Close to Infinite Dilution (2021) Piszko M, Lenahan F, Hahn S, Rausch MH, Koller TM, Klein T, Fröba AP Journal article, Original article Thermophysical properties of diphenylmethane and dicyclohexylmethane as a reference liquid organic hydrogen carrier system from experiments and molecular simulations (2020) Kerscher M, Klein T, Schulz P, Veroutis E, Dürr S, Preuster P, Koller TM, et al. Journal article, Original article Diffusivities in Binary Mixtures of [AMIM][NTf2] Ionic Liquids with the Dissolved Gases H2, He, N2, CO, CO2, or Kr Close to Infinite Dilution (2020) Klein T, Piszko M, Lang M, Mehler J, Schulz P, Rausch MH, Giraudet C, et al. Journal article, Original article Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations (2020) Klein T, Lenahan F, Kerscher M, Rausch MH, Economou IG, Koller TM, Fröba AP Journal article, Original article Mutual and Thermal Diffusivities as Well as Fluid-Phase Equilibria of Mixtures of 1-Hexanol and Carbon Dioxide (2020) Wu W, Klein T, Kerscher M, Rausch MH, Koller TM, Giraudet C, Fröba AP Journal article, Original article