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

doi:10.1016/j.cjche.2022.02.003

Chinese Journal of Chemical Engineering ›› 2022, Vol. 43 ›› Issue (3): 316-323.DOI: 10.1016/j.cjche.2022.02.003

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 Li^1,2, Changjun Liu¹, Shan Zhong¹, Houfang Lu^1,2, Hairong Yue^1,2, Kui Ma¹, Lei Song¹, Siyang Tang¹, Bin Liang^1,2

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:2022-04-28 Published:2022-03-28
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.

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 Li^1,2, Changjun Liu¹, Shan Zhong¹, Houfang Lu^1,2, Hairong Yue^1,2, Kui Ma¹, Lei Song¹, Siyang Tang¹, Bin Liang^1,2

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

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.

Abstract

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

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

Xiaomeng Zhao, Xingyu Li, Changjun Liu, Shan Zhong, Houfang Lu, Hairong Yue, Kui Ma, Lei Song, Siyang Tang, Bin Liang. 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[J]. Chinese Journal of Chemical Engineering, 2022, 43(3): 316-323.

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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

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

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