Comparative study of classifier models to assert phase stability in multicomponent mixtures

Asserting phase stability entails the global solution of a nonconvex optimisation problem, typically the tangent plane distance minimisation (TPDM). To improve computational tractability, we propose classifier-based surrogate models to replace the TPDM. We seek models that represent several multicomponent mixtures simultaneously, across various component identities, temperatures, and compositions. We investigate both artificial neural networks …