超越大胺附属金属有机框架中的转移性CO2吸附
Bhavish Dinakar1,2, Alexander C Forse1,3,4, Henry Z H Jiang1,2
1Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States.
Journal of the American Chemical Society
|September 7, 2021
概括
胺功能化的金属有机框架 (MOF) 对碳捕获具有前景. 研究人员发现,一个特定的MOF,dmen-Mg2 ((dobpdc),可以通过克服缓慢的,转移稳定的状态来达到完全的CO2容量.
科学领域:
- 材料科学
- 化学工程
- 环境科学
背景情况:
- 碳捕获对于减轻化石燃料发电厂造成的全球变暖至关重要.
- 胺功能化的金属有机框架 (MOF) 提供可调节的二氧化碳吸附特性.
- 需要优化材料来有效捕获特定的烟气中的二氧化碳.
研究的目的:
- 研究dmen-Mg2 ((dobpdc) MOF的二氧化碳吸附行为.
- 确定限制其全部二氧化碳捕获能力的因素.
- 确定用于碳捕获应用的最佳二氧化碳吸收策略.
主要方法:
- 固态神奇旋转核磁共振 (MAS NMR) 光谱.
- 范德瓦尔斯纠正密度函数理论 (DFT) 的计算.
- 在不同条件下的二氧化碳吸附测量.
主要成果:
- 在dmen-Mg2 ((dobpdc) 中观察到的半容量吸附是一种转移稳定的中间体.
- 由于结构重组缓慢,转换到全容量状态受到动力阻碍.
- 确定了不同容量的碳酸链的对立配置.
- 一个修改的MOF,dmen-Mg2 ((pc-dobpdc),绕过了转移稳定的陷,使得完全吸收二氧化碳.
结论:
- 可获得dmen-Mg2 ((dobpdc) MOF的全部二氧化碳容量,但需要特殊条件来克服动力限制.
- 了解MOF的结构动态是设计高效碳捕获材料的关键.
- 其他MOF结构,如dmen-Mg2 ((pc-dobpdc),可以实现工业应用的最佳二氧化碳捕获.
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