Derivative Properties Data for Hydrogen-Ethylene Supercritical Mixtures Using a SAFT EoS and a SAFT Force Field

Abstract

Hydrogen is a promising component for a more sustainable world, but its wide application depends upon the development of new technologies and processes. Therefore, a reliable set of thermodynamic properties is of paramount importance. Statistical mechanics provides the necessary tools to build very accurate molecular-based models for a given interaction potential. Statistical associating fluid theory (SAFT) entails a family of such models. From such molecular-based equations of state, new coarse-grained force fields can be derived for molecular simulations. In this work, we applied the SAFT-γMie force field to generate extensive data for derivative properties of supercritical hydrogen-ethylene mixtures at 300 K, comparing the results with the SAFT-VR Mie equation of state.