Evaluation of Thermodynamic Models for Predicting Phase Equilibria of $$\hbox {CO}_{2}$$ CO 2 + Impurity Binary Mixture

Abstract

For the design and operation of $$\hbox {CO}_{2}$$ capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for $$\hbox {CO}_{2}$$ mixtures containing $$\hbox {SO}_{2}$$ , $$\hbox {N}_{2}$$ , NO, $$\hbox {H}_{2}$$ , $$\hbox {O}_{2}$$ , $$\hbox {CH}_{4}$$ , $$\hbox {H}_{2}\mathrm{S}$$ , Ar, and $$\hbox {H}_{2}\mathrm{O}$$ is important for $$\hbox {CO}_{2}$$ transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave–Redlich–Kwong, cubic plus association, Groupe Europeen de Recherches Gazieres (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of $$\hbox {CO}_{2}$$ -impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.