CO 2 ‐triggered transformation of switchable porous deep eutectic solvents to porous ionic liquids for CO 2 separation

IF 4.4 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal Pub Date : 2026-10-17 DOI:10.1002/aic.70706

Zixuan Xu, Lei Luo, Qing Zhao, Huiqin Xu, Hang Li, Youting Wu, Xiaomin Zhang

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引用次数: 0

Abstract

Here, we develop a methodology to prepare a class of CO 2 ‐triggered switchable porous deep eutectic solvents (PDESs) by anchoring DBU/alcohol pairs onto the surface of UiO‐66‐NH 2 nanoparticles. Notably, CO 2 can trigger the transformation of PDESs into porous ionic liquids (PILs), and the reverse process can be achieved by bubbling transformation N 2 at 50°C. The as‐prepared PDESs achieved excellent separation of both CO 2 /C 2 H 2 and CO 2 /CH 4 . Combined density functional theory, molecular dynamics, and grand canonical Monte Carlo simulations confirm that the outstanding performance is mainly attributed to the DBU/alcohol pair, which serves as a functional layer that selectively recognizes CO 2 . Considering the diversity of porous hosts, the applicability of this methodology was confirmed by replacing the porous host. To our knowledge, this is the first study to disclose the transition between DESs and ILs using CO 2 in porous liquids.

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co2触发的可切换多孔深共晶溶剂转化为多孔离子液体用于co2分离

在这里，我们开发了一种方法，通过将DBU/醇对锚定在UiO‐66‐nh2纳米颗粒表面来制备一类二氧化碳触发的可切换多孔深度共晶溶剂（pess）。值得注意的是，CO 2可以触发pess向多孔离子液体（PILs）的转化，而相反的过程可以通过在50℃下鼓泡转化n2来实现。制备的pdes对co2 / c2h2和co2 / ch4均有较好的分离效果。结合密度泛函理论、分子动力学和大规范蒙特卡罗模拟证实，DBU/醇对的优异性能主要归功于其作为选择性识别CO 2的功能层。考虑到多孔宿主的多样性，通过对多孔宿主的替换，验证了该方法的适用性。据我们所知，这是第一个揭示在多孔液体中使用二氧化碳在DESs和ILs之间转变的研究。

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.