The solubility calculation of methane and acidic gases in associating solvents by a predictive approach using Henry’s law together with SRK and CPA equation of states

化学 溶解度 亨利定律 热力学 甲醇 溶剂 甲烷 状态方程 弗洛里-哈金斯解理论 有机化学 聚合物 物理
作者
Elahe Mansouri,Hossein Jalaei Salmani,Amirhosein Davoodabadi,Ariel Hernández
出处
期刊:Journal of Molecular Liquids [Elsevier BV]
卷期号:357: 119016-119016
标识
DOI:10.1016/j.molliq.2022.119016
摘要

• A predictive approach was presented calculating solubility of a gas in solvent. • Binary interaction parameter was calculated by combining Henry’s law with an EoS. • The analytical expressions were obtained for binary interaction parameter. In this study, the binary interaction parameters (BIPs) between a solute and solvent were calculated by combining Henry’s law and an equation of state (EoS) while the obtained BIPs were then applied to predict the solubility of carbon dioxide, hydrogen sulfide, and methane in various associating solvents. Water-CO 2 , water-H 2 S, water-CH 4 , methanol-CO 2 , methanol-H 2 S, methanol-CH 4 , ethanol-CO 2 , 1,2-propanediol-CO 2 , and glycerol-CO 2 mixtures, were studied by Soave-Redlich-Kwong (SRK) and cubic-plus-association (CPA) EoSs over a wide range of temperature and pressure (a total of 384 data points). Both EoSs were capable of predicting the solubility of gases in studied associating solvents by obtained BIPs at investigated temperatures and pressures; however, CPA EoS has produced relatively more satisfactory results with a general absolute average relative deviation (AARD) of 5.38% compared to SRK EoS with that of 6.21%. This can be atributed to the high potential of CPA EoS in describing associating compounds (water and alcohols). Moreover, there was a linear relationship between obtained BIPs and temperature for some mixtures, while for others a quadratic one was the best.
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