Benedict–Webb–Rubin–Starling Equation of State + Hydrate Thermodynamic Theories: An Enhanced Prediction Method for CO 2 Solubility and CO 2 Hydrate Phase Equilibrium in Pure Water/NaCl Aqueous Solution System

Changyu You, Zhaoyang Chen (), Xiaosen Li, Qi Zhao, Yun Feng and Chuan Wang
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Changyu You: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China
Zhaoyang Chen: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China
Xiaosen Li: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China
Qi Zhao: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China
Yun Feng: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China
Chuan Wang: Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China

Energies, 2024, vol. 17, issue 10, 1-41

Abstract: Accurately predicting the phase behavior and physical properties of carbon dioxide (CO 2 ) 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 CO 2 liquefaction, CO 2 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 CO 2 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 CO 2 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 CO 2 solubility and the variation of phase equilibrium conditions of the mixture system were discussed. These findings highlight the influence of hydrates and NaCl on CO 2 solubility characteristics and clearly demonstrate the hindrance of NaCl to the formation of CO 2 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.

Keywords: CCUS; BWRS EOS; hydrate thermodynamic theories; CO 2 solubility; phase equilibrium (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2024
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