Amine-functionalized ionic liquids for CO 2 capture
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ORIGINAL PAPER
Amine-functionalized ionic liquids for CO2 capture Xueying Zhu 1 & Zijiao Chen 2 & Hongqi Ai 1 Received: 3 June 2020 / Accepted: 7 October 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract In petroleum industry, the release of more and more carbon dioxide (CO2) brings greenhouse effect and even results in climate change, leading CO2 capture to become an urgent issue. To design ideal and effective absorbent, interaction mechanism for CO2 capture was systematically investigated in a series of imidazolium-based ionic liquids (ILs). The potential effects of alkyl side chain, electron-philic halogen (F, Cl, Br) atom(s), electron-denoting groups OH and NH2 (bound on cation or/and anion), and water solvent were disclosed on CO2 capture using CAM-B3LYP functional with SMD-GIL solvation model, and the most potential green effective absorbent was predicted. This work provides an explicit idea and theoretical basis about the design of desired IL for CO2 capture. Keywords CO2 capture . Greenhouse effect . Physical and chemical absorption . CAM-B3LYP functional
Introduction With the development of petroleum and petrochemical industry, more and more combustion products of gasoline and fuel oil are being generated, and becoming the sources of air pollution and acid rain. Carbon dioxide (CO2), as the main combustion product, can lead to greenhouse effect and even influence climate change. There are approximately 30 billion metric tons of CO2 released into the atmosphere each year [1]. Therefore, how to capture CO2 economically and effectively has increasingly gotten more and more attention. Many ways were tried, including physical adsorption [2–4], cryogenic methods [5], biological fixation [6], chemical absorption [7–9], and membrane separation [10, 11]. Among them, chemical absorption is the most effective and was widely used in petroleum and petrochemical fields [12]. The conventional CO2 absorbents are organic and inorganic amines [13], in which chilled ammonia (NH3) [14, 15] and alkanolamines
* Xueying Zhu [email protected] * Hongqi Ai [email protected] 1
School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022, People’s Republic of China
2
Institute of Science and Technology, Xinjiang University, Aksu 843100, China
[12, 16] are commonly used. However, some drawbacks of these amino absorbents are outstanding, including high equipment corrosion rate and volatility being against their regeneration, which lead to rising cost of industry and environment pollution, as well as a large amount of energy consumption in not only absorption but also regeneration steps [17]. Therefore, these absorbents urgently need to be improved or replaced by new materials to minimize the environmental and energy penalties for CO2 capture [18, 19]. As new candidates, ionic liquids (ILs) have perfect physicochemical properties, including strong solubility, high thermal and chemical stability, their reusability, little corrosivity, and negligible vapor volatility, designability
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