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PC-SAFT density functional theory in 3 dimensions : adsorption in ordered porous media and solvation free energies in non-polar solvents

. Universität Stuttgart, Stuttgart, Dissertation, (2023)
DOI: 10.18419/opus-13469

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Johannes Görres University of Stuttgart

New ways of evaluation of damage to wire ropes by combining different non-destructive rope testing methods, , , , and . Proceedings of OIPEEC Conference 2024, page 151-164. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)

Johannes Keller University of Stuttgart

Faserseile – neue Methoden der Ablegereifeerkennung, , and . 31. Internationale Kranfachtagung 2023 - Digitalisierung, Innovation, Produktsicherheit, 31, page 89-98. Arbeitsgruppe Baumaschinen- und Fördertechnik, Ruhr-Universität Bochum, Selbstverlag der Ruhr-Universität Bochum, (May 2023)
Faserseile – neue Methoden der Ablegereifeerkennung, , and . 31. Internationale Kranfachtagung 2023 - Digitalisierung, Innovation, Produktsicherheit, 31, page 89-98. Arbeitsgruppe Baumaschinen- und Fördertechnik, Ruhr-Universität Bochum, Selbstverlag der Ruhr-Universität Bochum, (May 2023)Investigation of new criteria for discard detection of fibre ropes for safe operation, , and . Proceedings of OIPEEC Conference 2024, page 83-99. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)New ways of evaluation of damage to wire ropes by combining different non-destructive rope testing methods, , , , and . Proceedings of OIPEEC Conference 2024, page 151-164. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)

Johannes Guter University of Stuttgart

New ways of evaluation of damage to wire ropes by combining different non-destructive rope testing methods, , , , and . Proceedings of OIPEEC Conference 2024, page 151-164. Organisation Internationale pour l'Etude des Cables (OIPEEC), (April 2024)
 

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Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state, , , and . The journal of chemical physics, 154 (24): 244106 (2021)Modeling Subsurface Hydrogen Storage With Transport Properties From Entropy Scaling Using the PC-SAFT Equation of State, , , , , and . Water resources research, 58 (4): e2021WR030885 (2022)Free-Energy-Averaged Potentials for Adsorption in Heterogeneous Slit Pores Using PC-SAFT Classical Density Functional Theory, and . Langmuir, 37 (12): 3538-3549 (2021)Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State, , and . The Journal of Physical Chemistry B, (April 2024)PC-SAFT density functional theory in 3 dimensions : adsorption in ordered porous media and solvation free energies in non-polar solvents. Universität Stuttgart, Stuttgart, Dissertation, (2023)Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations', , , and . Dataset, (2021)Related to: Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels: 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 (2021), 111263. doi: 10.1016/j.micromeso.2021.111263.Adsorption of light gases in covalent organic frameworks : comparison of classical density functional theory and grand canonical Monte Carlo simulations, , , and . Microporous and mesoporous materials, 324 (September): 111263 (2021)Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state, , , and . The Journal of Chemical Physics, (Jun 28, 2021)Guide to efficient solution of PC-SAFT classical Density Functional Theory in various Coordinate Systems using fast Fourier and similar Transforms, , , , , , and . Fluid Phase Equilibria, (2020)Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzene, , , and . Dataset, (2021)Related to: Eller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). 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, 154(24), 244106. doi: 10.1063/5.0051201.