Luis Rios-Colque

Structure-Preserving Excess Gibbs Learning for Multicomponent Phase Equilibria: A Falsifiable and Uncertainty-Aware Synthetic Study

This fully synthetic study tests a structure-preserving surrogate on NRTL-generated phase equilibrium systems; it contains no experimental molecular validation. A symmetric neural potential represents GE/(nRT), from which activity coefficients, thermal derivatives, binodals, flashes, and tangent-plane-distance diagnost...