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

Chenhao Jiang; Hongye Cheng; Zexian Qin; Ruizhuan Wang; Lifang Chen; Chen Yang; Zhiwen Qi; Xiucai Liu

Green Energy & Environment (Jun 2021)

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

Chenhao Jiang,
Hongye Cheng,
Zexian Qin,
Ruizhuan Wang,
Lifang Chen,
Chen Yang,
Zhiwen Qi,
Xiucai Liu

Affiliations

Chenhao Jiang: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China
Hongye Cheng: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Corresponding authors.
Zexian Qin: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China
Ruizhuan Wang: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China
Lifang Chen: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China
Chen Yang: Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Cathay Biotech Inc., 1690 Cailun Road, Shanghai, 201203, China
Zhiwen Qi: State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Corresponding authors.
Xiucai Liu: Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China; Cathay Biotech Inc., 1690 Cailun Road, Shanghai, 201203, China

Journal volume & issue: Vol. 6, no. 3
pp. 422 – 431

Abstract

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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 σ-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 σ-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.

Published in Green Energy & Environment

ISSN: 2468-0257 (Online)
Publisher: KeAi Communications Co., Ltd.
Country of publisher: China
LCC subjects: Technology: Mechanical engineering and machinery: Renewable energy sources; Science: Biology (General): Ecology
Website: https://www.keaipublishing.com/en/journals/green-energy-and-environment/

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