Benedict–Webb–Rubin–Starling Equation of State + Hydrate Thermodynamic Theories: An Enhanced Prediction Method for CO2 Solubility and CO2 Hydrate Phase Equilibrium in Pure Water/NaCl Aqueous Solution System

Accurately predicting the phase behavior and physical properties of carbon dioxide (CO2) in pure water/NaCl mixtures is crucial for the design and implementation of carbon capture, utilization, and storage (CCUS) technology. However, the prediction task is complicated by CO2 liquefaction, CO2 hydrate formation, multicomponent and multiphase coexistence, etc. In this study, an improved method that combines Benedict–Webb–Rubin–Starling equation of state (BWRS EOS) + hydrate thermodynamic theories was proposed to predict CO2 solubility and phase equilibrium conditions for a mixed system across various temperature and pressure conditions. By modifying the interaction coefficients in BWRS EOS and the Van der Waals–Platteeuw model, this new method is applicable to complex systems containing two liquid phases and a CO2 hydrate phase, and its high prediction accuracy was verified through a comparative evaluation with a large number of reported experimental data. Furthermore, based on the calculation results, the characteristics of CO2 solubility and the variation of phase equilibrium conditions of the mixture system were discussed. These findings highlight the influence of hydrates and NaCl on CO2 solubility characteristics and clearly demonstrate the hindrance of NaCl to the formation of CO2 hydrates. This study provides valuable insights and fundamental data for designing and implementing CCUS technology that contribute to addressing global climate change and environmental challenges.