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Study on Oxalic Acid Extraction by Tripropylamine: Equilibrium and Computational COSMO-SAC Analysis
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2020-08-11 , DOI: 10.1021/acs.jced.9b01150
Hasan Uslu 1 , Esma Baykal 2 , Aslı Gök 2 , Şah İsmail Kırbaşlar 2 , Dheiver Santos 3, 4
Affiliation  

Oxalic acid was extracted from aqueous solution using tripropylamine (TPA) in different organic solvents. Ten organic solvents such as 1-butanol, isoamyl alcohol, methyl ethyl ketone (MEK), methyl isobutyl ketone, diisobutyl ketone (DIBK), isobutanol, n-hexane, dimethyl glutarate, ethyl propionate, and diethyl carbonate (DEC) were used to prepare an organic phase with TPA. From the experimental data, some thermodynamic coefficients were calculated such as the distribution coefficient (KD), loading factor (Z), and the extraction yield (E %). It is discovered upon examination that the physical extraction analyses performed with pure solvents for oxalic acid extraction from aqueous media can be improved essentially by adding TPA. As per the results obtained, the most effective oxalic acid extraction is achieved with an extraction productivity (efficiency) of 99.86% and a KD of 716.948 if 2.608 mol kg–1 of TPA diluted in MEK is utilized as the extractant mixture. The COSMO-SAC model has been used to analyze the experimental data for the first time. This model provides insight into the interactions between substances with good results.

中文翻译:

三丙胺萃取草酸的研究:平衡和COSMO-SAC计算分析

在不同的有机溶剂中,使用三丙胺(TPA)从水溶液中提取草酸。十种有机溶剂如1-丁醇,异戊醇,甲基乙基酮(MEK),甲基异丁基酮,二异丁酮(DIBK),异丁醇,Ñ己烷,戊二酸二甲酯,丙酸乙酯,碳酸二乙酯(DEC)被用来用TPA制备有机相。根据实验数据,计算了一些热力学系数,如分布系数(K D),负载系数(Z)和提取率(E。%)。通过检查发现,通过添加TPA,基本上可以改善用纯溶剂从水介质中萃取草酸的物理萃取分析。根据获得的结果,如果将2.608 mol kg –1在MEK中稀释的TPA用作萃取剂混合物,则萃取效率(效率)为99.86%,K D为716.948,从而实现了最有效的草酸萃取。COSMO-SAC模型已首次用于分析实验数据。该模型提供了对物质之间相互作用的深入了解,并获得了良好的结果。
更新日期:2020-09-10
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