文献类型：期刊文献

英文题名：COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids

作者：Jiang, Chenhao[1,2];Cheng, Hongye[1,2];Qin, Zexian[1];Wang, Ruizhuan[1];Chen, Lifang[1];Yang, Chen[2,3];Qi, Zhiwen[1,2];Liu, Xiucai[2,3]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Inst Biobased Mat, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]Cathay Biotech Inc, 1690 Cailun Rd, Shanghai 201203, Peoples R China

年份：2021

卷号：6

期号：3

起止页码：422

外文期刊名：GREEN ENERGY & ENVIRONMENT

收录：;EI(收录号：20211310155611);WOS:【SCI-EXPANDED(收录号:WOS:000668200500013)】；

基金：The financial support from National Natural Science Foundation of China (21978096, 21861132019, and 21776074) and Natural Science Foundation of Shanghai (19ZR1412600) is greatly acknowledged.

语种：英文

外文关键词：1,5-Pentanediamine; Ionic liquids; Aqueous solution; Extraction; COSMO-RS model

摘要：1,5-Pentanediamine (PDA) produced by biological fermentation becomes popular, but the separation of PDA from the broth is a typical difficult problem. In this work, the performance of 200 ionic liquids (ILs), formed by combining 25 cations and 8 anions, in the extraction of PDA from aqueous solution were evaluated using COSMO-RS model. The extraction mechanism was investigated with the help of sigma-profile and interaction energy analyses. Both the cation and anion have impacts on the extraction efficiency, where cation mainly influences the interaction of IL with PDA and anion affects the hydrophobicity of IL. The IL composed of long alkyl-chain in cation and the anion of [PF6](-) or [TF2N](-), which has the sigma-profile more likely distributed in the nonpolar region but less distributed in the polar region, is favorable for extraction. The experimental liquid-liquid equilibrium demonstrated the effects of cation and anion on extraction performance, which validated the reliability of COSMO-RS model in IL screening for PDA extraction. The IL [IM-1,8][PF6] could serve as a promising extractant for the downstream separation process of the biological production of PDA. (C) 2020, Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co., Ltd.