SCI和EI收录∣中国化工学会会刊

中国化学工程学报 ›› 2022, Vol. 43 ›› Issue (3): 316-323.DOI: 10.1016/j.cjche.2022.02.003

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The quasi-activity coefficients of non-electrolytes in aqueous solution with organic ions and its application on the phase splitting behaviors prediction for CO2 absorption

Xiaomeng Zhao1, Xingyu Li1,2, Changjun Liu1, Shan Zhong1, Houfang Lu1,2, Hairong Yue1,2, Kui Ma1, Lei Song1, Siyang Tang1, Bin Liang1,2   

  1. 1. Laboratory of Low-Carbon Technology and Chemical Reaction Engineering, School of Chemical Engineering, Sichuan University, Chengdu 610065, China;
    2. Institute of New Energy and Low-Carbon Technology, Sichuan University, Chengdu 610207, China
  • 收稿日期:2021-08-31 修回日期:2022-02-01 出版日期:2022-03-28 发布日期:2022-04-28
  • 通讯作者: Siyang Tang,E-mail:siyangtang@scu.edu.cn
  • 基金资助:
    Thanks to the financial support from National Natural Science Foundation of China (21878190) and China Petrochemical Corporation (419033-1). Thanks to the Engineering Experimental Teaching Center, School of Chemical Engineering, Sichuan University for the Nuclear Magnetic Resonance (NMR, JNM-ECZ400S/L1, JEOL Ltd.) support and the compute server support.

The quasi-activity coefficients of non-electrolytes in aqueous solution with organic ions and its application on the phase splitting behaviors prediction for CO2 absorption

Xiaomeng Zhao1, Xingyu Li1,2, Changjun Liu1, Shan Zhong1, Houfang Lu1,2, Hairong Yue1,2, Kui Ma1, Lei Song1, Siyang Tang1, Bin Liang1,2   

  1. 1. Laboratory of Low-Carbon Technology and Chemical Reaction Engineering, School of Chemical Engineering, Sichuan University, Chengdu 610065, China;
    2. Institute of New Energy and Low-Carbon Technology, Sichuan University, Chengdu 610207, China
  • Received:2021-08-31 Revised:2022-02-01 Online:2022-03-28 Published:2022-04-28
  • Contact: Siyang Tang,E-mail:siyangtang@scu.edu.cn
  • Supported by:
    Thanks to the financial support from National Natural Science Foundation of China (21878190) and China Petrochemical Corporation (419033-1). Thanks to the Engineering Experimental Teaching Center, School of Chemical Engineering, Sichuan University for the Nuclear Magnetic Resonance (NMR, JNM-ECZ400S/L1, JEOL Ltd.) support and the compute server support.

摘要: CO2 capture with a low energy consumption is of important application significance for reducing CO2 emission. The phase-change absorbent developed in recent years shows its potential for low-energy CO2 capture. The unclear phase-splitting rule hinders the efficient development of CO2 phase-change absorbents. To predict phase-splitting behaviors of mono/poly-amine-organic solvent–water system with various concentrations, a quasi-activity coefficient was developed based on Debye & McAulay equation and some Density function theory descriptors. Six models based on Debye & McAulay equation were developed with different ion radius, descriptors or poly-amine-CO2 products. The phase-splitting boundary was drawn on the model with the best predictability. This quasi-activity coefficient would provide guidance for the phase-splitting systems development, especially for polyamines.

关键词: CO2 absorption, Polyamines, Biphasic system, Phase-splitting, Salting-out effect

Abstract: CO2 capture with a low energy consumption is of important application significance for reducing CO2 emission. The phase-change absorbent developed in recent years shows its potential for low-energy CO2 capture. The unclear phase-splitting rule hinders the efficient development of CO2 phase-change absorbents. To predict phase-splitting behaviors of mono/poly-amine-organic solvent–water system with various concentrations, a quasi-activity coefficient was developed based on Debye & McAulay equation and some Density function theory descriptors. Six models based on Debye & McAulay equation were developed with different ion radius, descriptors or poly-amine-CO2 products. The phase-splitting boundary was drawn on the model with the best predictability. This quasi-activity coefficient would provide guidance for the phase-splitting systems development, especially for polyamines.

Key words: CO2 absorption, Polyamines, Biphasic system, Phase-splitting, Salting-out effect