The unique adsorption performance of metal-organic frameworks (MOFs) indicates a new direction for gas separation and purification. The low-temperature distillation, as a traditional technique for hydrogen isotope separation, is limited as it is a high energy- and cost-intensive process. Instead of utilizing such a conventional separation route, we use ordered microporous frameworks based on a physical adsorption mechanism to solve the challenge of hydrogen isotope separation. Herein we analyze M-MOF-74 (M=Co, Ni, Mg, Zn), featuring a hexagonal channel about 11 Å and high density of open metal sites, for their ability to separate and purify deuterium from the hydrogen isotope mixture by dynamic column breakthrough experiments. Our results show that the combination of the strength of binding sites, density of coordinatively unsaturated metal sites and hydrogen isotope adsorption capacity of materials renders Co-MOF-74 as an optimal adsorbent for the capture of deuterium from hydrogen isotope mixtures in a simulated industrial process.

金属有机骨架（MOF）的独特吸附性能为气体分离和纯化提供了新的方向。作为氢同位素分离的传统技术，低温蒸馏受到限制，因为它是高能耗和高成本的过程。代替利用这种常规的分离路线，我们使用基于物理吸附机制的有序微孔框架来解决氢同位素分离的挑战。本文中，我们分析了M-MOF-74（M = Co，Ni，Mg，Zn），其特征在于六角形通道（约11Å）和高密度的开放金属位点，因为它们能够通过动态分离从氢同位素混合物中分离和纯化氘柱突破实验。我们的结果表明，结合位点的强度相结合，