Modeling the Vapor–Liquid Equilibrium and Density of Hydrogen-Containing Binary Mixtures Using PC-SAFT

Accurate thermodynamic property modeling of hydrogen-containing mixtures is essential for hydrogen transportation and storage. Here, we present a systematic evaluation of PC-SAFT for the vapor–liquid equilibrium (VLE) and density of hydrogen-containing binary mixtures. This work extends our recently proposed variable-range PC-SAFT parametrization to a broader range of hydrogen-containing binary mixtures and systematically evaluates their VLE and density. Experimental VLE and density data are critically selected and compiled for parametrization and model evaluation. Subsequently, binary interaction parameters are determined based on the VLE of binary mixtures. The presented parameter set, together with the level of agreement given in the tables and figures, offers a basis for implementing PC-SAFT in property predictions and process simulations of mixtures containing hydrogen.