The instability of most prototype metal–organic frameworks (MOFs) in the presence of water has limited their industrial scale development. The sensitivity of certain MOFs to humid conditions has been vigorously studied and most of the carrier gas used to make the humid conditions is inert gas. However, a large amount of industrial activities are carried out in air containing 21% oxygen, so it is important to study the effect of oxygen on the hydrostability of MOFs for future industrial applications. In this work, we have studied the stability of M₃(BTC)₂ (M = Cu, Cr; BTC = 1,3,5-benzenetricarboxylate) under controlled environments (pure oxygen environment; water vapor environment and mixed O₂ and H₂O environment). The stability was evaluated using water vapor and oxygen adsorption isotherms combined with powder X-ray diffraction (PXRD) experiments and surface area analysis. Our research shows that Cr₃(BTC)₂ has a relatively high stability under a single atmosphere of either oxygen or water vapor (with Ar). Interestingly, when it was placed under the mixed O₂ and H₂O environment, it rapidly lost approximately 96% of its original surface area. Cu₃(BTC)₂ is more stable; however, it was also degraded, especially under a mixed O₂ and H₂O environment. The experiments show that water molecules and oxygen molecules have a synergistic effect on the stability of MOFs. Computational simulations were used to provide insight into the mechanism governing these trends in the stability of the materials studied.

中文翻译：

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氧和水对金属-有机骨架[Cr ₃（BTC）₂ ]和[Cu ₃（BTC）₂ ]的同构族稳定性的协同作用

大多数原型金属有机框架（MOF）在水的存在下的不稳定性限制了其工业规模的发展。已经对某些MOF对潮湿条件的敏感性进行了深入研究，并且用于形成潮湿条件的大多数载气是惰性气体。但是，在含有21％氧气的空气中进行了大量的工业活动，因此，研究氧气对MOF的水稳定性的影响对于将来的工业应用非常重要。在这项工作中，我们研究了在受控环境（纯氧环境，水蒸气环境以及O ₂和H的混合环境）下M ₃（BTC）₂（M = Cu，Cr; BTC = 1,3,5-苯三羧酸盐）的稳定性_2个O环境）。使用水蒸气和氧气吸附等温线，结合粉末X射线衍射（PXRD）实验和表面积分析来评估稳定性。我们的研究表明，Cr ₃（BTC）₂在氧气或水蒸气（含Ar）的单一气氛下具有相对较高的稳定性。有趣的是，当将其置于O ₂和H ₂ O混合环境下时，它迅速损失了其原始表面积的约96％。Cu ₃（BTC）₂更稳定；但是，它也被降解了，特别是在O ₂和H ₂混合的情况下O环境。实验表明，水分子和氧分子对MOF的稳定性具有协同作用。使用计算模拟来深入了解控制所研究材料的稳定性这些趋势的机理。