M. Ramdin

Machine Learning-Based Prediction of Phase Equilibria and Interfacial Properties of Multicomponent CO2 Mixtures with Impurities: Application to CO2 Transportation

Impurities in captured CO2 broaden the two-phase envelope, decrease the interfacial tension (IFT), and affect safe dense-phase transport. These properties are difficult to measure and expensive to compute using molecular simulations. We present the first systematic machine learning (ML) surrogate framework for phase eq...