Python package for vapour-liquid interfacial tension of pure fluids and mixtures: empirical correlations, the Parachor model, Winterfeld-Scriven-Davis, and metastable limits from classical nucleation theory.
Thermodynamics and interfacial tension of N-component mixtures with PC-SAFT via feos: phase equilibria and vapour-liquid interfacial properties of CO2 mixtures with impurities, plus data generation for ML surrogates.
Code behind "Machine Learning-Based Prediction of Phase Equilibria and Interfacial Properties of Multicomponent CO2 Mixtures with Impurities" (Ind. Eng. Chem. Res. 2026): PCP-SAFT + cDFT workflows, kij fitting, and ML surrogates (TabPFN, GP, symbolic regression, active learning).
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