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Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State.
Sauer E, Terzis A, Theiss M, Weigand B, Gross J. Sauer E, et al. Among authors: gross j. Langmuir. 2018 Oct 23;34(42):12519-12531. doi: 10.1021/acs.langmuir.8b01985. Epub 2018 Oct 9. Langmuir. 2018. PMID: 30247038
That comparison suggests, first, that the Helmholtz energy functional proposed in a previous study [ Sauer , E. ; Gross , J. Ind. Eng. Chem. Res. 56 , 2017 , 4119 - 4135 ] is suitable for three-phase contact lines and, second, that Lagrange multipliers can be used t …
That comparison suggests, first, that the Helmholtz energy functional proposed in a previous study [ Sauer , E. ; Gross , J. I …
Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State.
Bursik B, Eller J, Gross J. Bursik B, et al. Among authors: gross j. J Phys Chem B. 2024 Apr 18;128(15):3677-3688. doi: 10.1021/acs.jpcb.3c07447. Epub 2024 Apr 5. J Phys Chem B. 2024. PMID: 38579126
A large number of substances was recently parametrized by members of our group (Esper, T.; Bauer, G.; Rehner, P.; Gross, J. Ind. Eng. Chem. Res. 2023, 62), which enables a comparison to the DFT approach for 103 substances. ...
A large number of substances was recently parametrized by members of our group (Esper, T.; Bauer, G.; Rehner, P.; Gross, J. In …
3,851 results