Classifier surrogates to ensure phase stability in optimisation-based design of solvent mixtures

The ability to guarantee a single homogeneous liquid phase is a key consideration in computer-aided mixture/blend design (CAMbD). In this article, we investigate the use of a classifier surrogate of the phase stability condition within a CAMbD optimisation model for designing solvent mixtures with guaranteed phase stability properties. We show how to develop such classifiers for describing multiple candidate mixtures over a range of …