首页> 外文期刊>The Journal of Supercritical Fluids >Modeling of the solubility of aromatic compounds in supercritical carbon dioxide-cosolvent systems using SAFT equation of state
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Modeling of the solubility of aromatic compounds in supercritical carbon dioxide-cosolvent systems using SAFT equation of state

机译:使用SAFT状态方程模拟芳族化合物在超临界二氧化碳-共溶剂体系中的溶解度

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摘要

The SAFT equation of state (EOS) combined with a one-parameter mixing rule was used to evaluate the capability of the SAFT approach for modeling the solubility of solid aromatic compounds in supercritical fluids (SCFs) with cosolvents.Binary interaction parameters were obtained by fitting the phase equilibrium data of the constituent binary systems.The SAFT EOS was used to predict the solubility of solids in carbon dioxide with cosolvents for five systems,and the overall average absolute relative deviation (AARD) was 20.43%.For the other 11 systems,the binary interaction parameters between the solids and the cosolvents were obtained by fitting the ternary solubility data,and the overall AARD was 16.45%.Comparison with the PRSV EOS showed that the SAFT EOS was superior in terms of both prediction and correlation.The present work demonstrates that the SAFT approach is useful for modeling the solubility of solids in SCFs with cosolvents with reasonable accuracy.
机译:利用SAFT状态方程(EOS)结合一参数混合规则来评估SAFT方法模拟固体芳族化合物在具有助溶剂的超临界流体(SCF)中的溶解度的能力。通过拟合获得二元相互作用参数使用SAFT EOS预测了五种体系与助溶剂的固体在二氧化碳中的溶解度,总的平均绝对相对偏差(AARD)为20.43%。对于其他11种体系,通过拟合三元溶解度数据获得了固体与助溶剂之间的二元相互作用参数,总AARD为16.45%。与PRSV EOS的比较表明,SAFT EOS在预测和相关性方面均优越。证明了SAFT方法可用于以合理的准确度模拟固体在SCF中与助溶剂的溶解度。

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