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对碳化合物分离的金属有机框架和热利石的行为进行比较

David Peralta¹, Gérald Chaplais, Angélique Simon-Masseron

¹Equipe Matériaux à Porosité Controlée (MPC), Institut de Science des Matériaux de Mulhouse (IS2M), LRC CNRS-UHA 7228, ENSCMu, 3 rue Alfred Werner, 68093 Mulhouse Cedex, France.

Journal of the American Chemical Society

|March 9, 2012

概括

这项研究比较了金属有机框架 (MOF) 和热带石上的碳化合物吸附. 极性伊米达酸框架 (ZIFs) 显示出独特的分子选,而协调性不和位点 (CUS) -MOFs优先吸附基因而不是芳香物.

科学领域:

材料科学材料科学材料科学
吸附科学吸附科学
分离科学分离科学

背景情况:

碳化合物分离在化学工业中至关重要.
金属有机框架 (MOF) 为吸附和分离提供可调节的特性.
将MOF与传统的热石进行比较,对于了解它们的潜力至关重要.

研究的目的:

通过使用各种MOF来研究关键碳化合物家族 (基,基,芳) 的吸附和分离.
为了比较不同MOF结构与热带石的性能.
阐明在MOF中控制碳化合物吸附的结构性质关系.

主要方法:

使用四种探针分子进行了二进制突破实验:o-/p-xylen (芳香物),1-octene (烯) 和n-octane (烯).
实验中使用了多种MOF:协调性不和金属位点 (CUS) -MOF (Cu-btc,CPO-27-Ni),阳离子MOF (RHO-ZMOF) 和热性静酸盐框架 (ZIFs) (ZIF-8,ZIF-76).
焦化物NaY (极性) 和β (无极性) 作为参考吸附剂. 使用密度函数理论与分散 (DFT+D) 计算.

主要成果:

岩性伊米达酸框架 (ZIFs) 显示出非极性行为和显著的分子选能力.
协调不和位点 (CUS) -MOFs表现出极性特征,并倾向于吸附基因而不是芳香化合物.
带有外框架离子的MOFs的功能与极性,离子热石类似.

结论:

ZIFs提供了新的无极吸附剂,具有可调节的分子选特性,用于碳化合物分离.
CUS-MOF对选择性基吸附有前途,这种行为可以通过DFT+D计算来解释.
该研究强调了MOF的多样性吸附行为,为设计先进的分离材料提供了宝贵的见解.

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