The SPT-PC-SAFT model predicts PC-SAFT parameters from the SMILES code of a molecule. High accuracy is achieved by training the parameters of the transformer model directly on experimental vapor pressure and density data.
We propose a thermodynamic model that combines the Young–Laplace equation and PC-SAFT EoS to estimate capillary condensation pressure in microporous and mesoporous sorbents.
Phase behavior of solution mixtures containing trimethoxyvinylsilane and triethoxyvinylsilane in supercritical carbon dioxide under high-pressure conditions.
Utilizing Hansen solubility theory, methyl-p-toluate emerges as an alternative solvent for poly(ε-caprolactone), paving the way for safer and sustainable applications of thermally induced phase separation in tissue engineering and membrane field.
Deep Entropy Scaling architecture (DeepESNet) to predict viscosities over large ranges of state points proposing and using generalized DeepONets (GenDeepONet).