Equation-of-State Modeling of Solid–Liquid–Gas Equilibrium of CO2 Binary Mixtures

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• 作者：Ilias K. Nikolaidis ; Georgios C. Boulougouris ; Loukas D. Peristeras ; Ioannis G. Economou
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2016
• 出版时间：June 1, 2016
• 年：2016
• 卷：55
• 期：21
• 页码：6213-6226
• 全文大小：743K
• 年卷期：0
• ISSN：1520-5045

文摘

Thermodynamic models of different complexity have been used to model the solid–fluid equilibrium (SFE) of pure carbon dioxide (CO₂) and binary mixtures of CO₂ with other compounds. The models used to describe the solid phase include an empirical correlation fitted on experimental data at SFE conditions, a model based on thermodynamic integration, and a solid-phase equation of state (EoS) developed for pure CO₂. These models have been coupled with Peng–Robinson, Soave–Redlich–Kwong, and Perturbed Chain–Statistical Associating Fluid Theory EoS and have been applied to mixtures of CO₂ with N₂, H₂, and CH₄, where CO₂ forms the solid phase, and also to mixtures of CO₂ and ethylene with naphthalene and phenanthrene, where the heavier compound forms the solid. Very good agreement with experimental data has been achieved in all cases, both with no binary interaction parameter and with an interaction parameter fitted to vapor–liquid equilibrium data.