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.
Selected thermophysical properties (i.e., vapor–liquid equilibria, dynamic viscosity, and surface tension) have been investigated for a new potential bio-oxygenate fuel comprising ethanol, diethyl carbonate, and hexane.
Phase behavior of solution mixtures containing trimethoxyvinylsilane and triethoxyvinylsilane in supercritical carbon dioxide under high-pressure conditions.
Thermodynamic perturbation theory (TPT) is a breakthrough in developing an equation of state for systems containing hydrogen bonding.