CO2 absorption mechanism and kinetic modeling of mixed amines with ionic liquid activation

IF 3.5 3区工程技术 Q2 ENGINEERING, CHEMICAL AIChE Journal Pub Date : 2024-06-14 DOI:10.1002/aic.18493

Rui-Qi Jia, Qing Wu, Liang-Liang Zhang, Bo Zhang, Guang-Wen Chu, Jian-Feng Chen

引用次数: 0

Abstract

Ionic liquid (IL) can not only serve as solvents to reduce carbon capture energy consumption, but also may activate the CO₂ absorption of amine solutions. Here, the absorption mechanism and kinetic modeling of IL-activated single and mixed amines were studied in wetted wall column. N-(2-aminoethyl) ethanolamine (AEEA) and N,N-diethylethanolamine (DEEA) were used as representatives to evaluate the IL activation effects on primary and tertiary amines. It was found that IL activated the reaction process of primary amine, but had no activation effect on tertiary amine. The activation energy of AEEA-IL-CO₂ was 22.2 kJ/mol, which was 21.0% lower than AEEA-CO₂. Kinetic modeling of IL-activated AEEA and mixed amines was established. Besides, the density functional theory calculations showed that IL can form hydrogen bonding and other interactions with AEEA and CO₂ to activate the absorption reaction, which can reduce 29.3% activation energy during the zwitterion formation stage.

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离子液体活化混合胺的二氧化碳吸收机制和动力学模型

离子液体（IL）不仅可以作为溶剂降低碳捕集能耗，还可以激活胺溶液对二氧化碳的吸收。本文研究了在湿润壁柱中离子液体活化单一胺和混合胺的吸收机理和动力学模型。以 N-（2-氨基乙基）乙醇胺（AEEA）和 N,N-二乙基乙醇胺（DEEA）为代表，评估了 IL 对伯胺和叔胺的活化作用。结果发现，IL 能激活伯胺的反应过程，但对叔胺没有激活作用。AEEA-IL-CO2 的活化能为 22.2 kJ/mol，比 AEEA-CO2 低 21.0%。建立了 IL 活化 AEEA 和混合胺的动力学模型。此外，密度泛函理论计算表明，IL 能与 AEEA 和 CO2 形成氢键及其他相互作用来激活吸收反应，从而在形成齐聚物阶段降低 29.3% 的活化能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

AIChE Journal 工程技术-工程：化工

CiteScore

7.10

自引率

10.80%

发文量

411

审稿时长

3.6 months

期刊介绍： The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering. The AIChE Journal is indeed the global communications vehicle for the world-renowned researchers to exchange top-notch research findings with one another. Subscribing to the AIChE Journal is like having immediate access to nine topical journals in the field. Articles are categorized according to the following topical areas: Biomolecular Engineering, Bioengineering, Biochemicals, Biofuels, and Food Inorganic Materials: Synthesis and Processing Particle Technology and Fluidization Process Systems Engineering Reaction Engineering, Kinetics and Catalysis Separations: Materials, Devices and Processes Soft Materials: Synthesis, Processing and Products Thermodynamics and Molecular-Scale Phenomena Transport Phenomena and Fluid Mechanics.