Volume 6 Issue 3
Jun.  2021
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Article Navigation >  Green Energy&Environment  > 2021  >  6(3): 422-431
Chenhao Jiang, Hongye Cheng, Zexian Qin, Ruizhuan Wang, Lifang Chen, Chen Yang, Zhiwen Qi, Xiucai Liu. COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids. Green Energy&Environment, 2021, 6(3): 422-431. doi: 10.1016/j.gee.2020.12.011
Citation: Chenhao Jiang, Hongye Cheng, Zexian Qin, Ruizhuan Wang, Lifang Chen, Chen Yang, Zhiwen Qi, Xiucai Liu. COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids. Green Energy&Environment, 2021, 6(3): 422-431. doi: 10.1016/j.gee.2020.12.011
shu

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

doi: 10.1016/j.gee.2020.12.011
  • a.

    State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China

  • b.

    Institute of Biobased Materials, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China

  • c.

    Cathay Biotech Inc., 1690 Cailun Road, Shanghai, 201203, China

More Information
  • Corresponding author: E-mail address: hycheng@ecust.edu.cn (Hongye Cheng); E-mail address: zwqi@ecust.edu.cn (Zhiwen Qi)
  • Received date 29 September 2020, Accepted date 11 December 2020, Available online 13 December 2020, Publish date 30 June 2021,
    Abstract

  • 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.

     

    COSMO-RS model was used to predict the performance of 200 ionic liquids in the extraction of 1,5-pentanediamine from aqueous solution. Experimental liquid–liquid equilibrium experiments demonstrated the effects of cation and anion on extraction performance and verified the reliability of COSMO-RS model in ionic liquid screening for 1,5-pentanediamine extraction.

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