Modeling Mixtures with PCP-SAFT: Insights from Large-Scale Parametrization and Group-Contribution Method for Binary Interaction Parameters. International Journal of Thermophysics, (44)12:1--28, Springer, 2023. [PUMA: myown]
Non-equilibrium thermodynamics for engineers. World Scientific, 2010. [PUMA: myown]
MaST: Scale-Bridging Exploration of Transcritical Fluid Systems. In Detlef Schulz, Alexander Fay, Wenzel Matiaske, and Manuel Schulz (Eds.), dtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr, (1):101-106, 2022. [PUMA: myown] URL
Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon, and their mixtures. The journal of chemical physics, (158)10:104107, American Institute of Physics, 2023. [PUMA: myown]
Three-body effects in triplets of capped gold nanocrystals. Molecular physics, (115)9/12:1031-1040, Taylor & Francis, 2017. [PUMA: j.gross.1 myown sys:rel:]
Adsorption of light gases in covalent organic frameworks : comparison of classical density functional theory and grand canonical Monte Carlo simulations. Microporous and mesoporous materials, (324)September:111263, Elsevier, 2021. [PUMA: j.gross.1 myown sys:rel:]
Influence of layer slipping on adsorption of light gases in covalent organic frameworks: A combined experimental and computational study. Microporous and Mesoporous Materials, (336):111796, 2022. [PUMA: j.gross.1 myown sys:rel:] URL
Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'. 2022. [PUMA: j.gross.1 myown sys:rel:]
Thermal Conductivity from Entropy Scaling: A Group-Contribution Method. Industrial & Engineering Chemistry Research, (58)44:20441--20449, American Chemical Society (ACS), October 2019. [PUMA: imported j.gross.1 myown sys:rel:] URL
Multiobjective Optimization of PCP-SAFT Parameters for Water and Alcohols Using Surface Tension Data. Journal of Chemical & Engineering Data, (65)12:5698--5707, American Chemical Society (ACS), September 2020. [PUMA: imported j.gross.1 myown sys:rel:] URL
Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. arXiv, 2021. [PUMA: imported j.gross.1 myown sys:rel:]
Predicting solvation free energies in non-polar solvents using classical Density Functional Theory based on the PC-SAFT equation of state. arXiv, 2021. [PUMA: imported j.gross.1 myown sys:rel:]
Adsorption of light gases in covalent organic frameworks: Comparison of classical density functional theory and grand canonical Monte Carlo simulations. arXiv, 2021. [PUMA: imported j.gross.1 myown sys:rel:]
Accurate first-order perturbation theory for fluids: uf-theory. The Journal of Chemical Physics, Jan 28, 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Free-Energy-Averaged Potentials for Adsorption in Heterogeneous Slit Pores Using PC-SAFT Classical Density Functional Theory. Langmuir, (37)12:3538--3549, American Chemical Society (ACS), March 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Surfactant Modeling Using Classical Density Functional Theory and a Group Contribution PC-SAFT Approach. Industrial & Engineering Chemistry Research, (60)19:7111--7123, American Chemical Society (ACS), April 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of Chemical Physics, Jun 28, 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Adsorption of light gases in covalent organic frameworks: comparison of classical density functional theory and grand canonical Monte Carlo simulations. Microporous and Mesoporous Materials, (324):111263, Elsevier BV, September 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Hydrodynamic density functional theory for mixtures from a variational principle and its application to droplet coalescence. The Journal of Chemical Physics, Oct 7, 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL
Accurate thermodynamics of simple fluids and chain fluids based on first-order perturbation theory and second virial coefficients: uv-theory. The Journal of Chemical Physics, Dec 28, 2021. [PUMA: imported j.gross.1 myown sys:rel:] URL