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Recognition of C4 Olefins by an Ultramicroporous ftw-Type Yttrium-Based Metal–Organic Framework with Distorted Cages
Small ( IF 13.0 ) Pub Date : 2023-11-21 , DOI: 10.1002/smll.202307990
Shi Tu 1 , Jinze Yao 1 , Siyao Zhao 1 , Danxia Lin 1 , Liang Yu 1, 2 , Xin Zhou 1 , Hao Wang 2 , Ying Wu 3 , Qibin Xia 1
Small ( IF 13.0 ) Pub Date : 2023-11-21 , DOI: 10.1002/smll.202307990
Shi Tu 1 , Jinze Yao 1 , Siyao Zhao 1 , Danxia Lin 1 , Liang Yu 1, 2 , Xin Zhou 1 , Hao Wang 2 , Ying Wu 3 , Qibin Xia 1
Affiliation
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Developing porous adsorbents for efficient separation of C4 olefins is significant but challenging in the petrochemical industry due to their similar molecular sizes and physical properties. The separation efficiency is often limited when separating C4 olefins by a single separation mechanism. Herein, an ultramicroporous yttrium-based MOF, Y-dbai, is reported featuring cage-like pores connected by small windows, for recognition and efficient separation of C4 olefins through a synergistic effect of thermodynamic and kinetic mechanisms. At 298 K and 1 bar, the adsorption capacities of Y-dbai for C4H6, 1-C4H8, and i-C4H8 are 2.88, 1.07, and 0.14 mmol g−1, respectively, indicating a molecular sieving effect toward i-C4H8. The C4H6/i-C4H8 and 1-C4H8/i-C4H8 uptake selectivities of Y-dbai are 20.6 and 7.6, respectively, outperforming most of the reported adsorbents. The static and kinetic adsorption experiments coupled with DFT calculations indicate the separation should be attributed to a combined effect of thermodynamically and kinetically controlled mechanism. Breakthrough experiments have confirmed the excellent separation capability of Y-dbai toward C4H6/1-C4H8, C4H6/i-C4H8, and C4H6/1-C4H8/i-C4H8 mixtures.
中文翻译：
具有扭曲笼的超微孔ftw型钇基金属有机骨架对C4烯烃的识别
开发用于有效分离 C 4烯烃的多孔吸附剂在石化工业中具有重要意义，但由于其相似的分子尺寸和物理性质而具有挑战性。当通过单一分离机制分离C 4烯烃时，分离效率常常受到限制。在此，报道了一种超微孔钇基MOF，Y-dbai，具有通过小窗口连接的笼状孔，可通过热力学和动力学机制的协同效应识别和有效分离C 4烯烃。在298 K和1 bar下，Y-dbai对C 4 H 6 、1-C 4 H 8和iC 4 H 8的吸附容量分别为2.88、1.07和0.14 mmol g -1 ，表明分子筛对 iC 4 H 8的影响。 Y-dbai的C 4 H 6 /iC 4 H 8和1-C 4 H 8 /iC 4 H 8吸附选择性分别为20.6和7.6，优于大多数报道的吸附剂。静态和动态吸附实验与 DFT 计算相结合表明分离应归因于热力学和动力学控制机制的综合作用。 突破性实验证实了Y-dbai对C 4 H 6 /1-C 4 H 8 、C 4 H 6 /iC 4 H 8和C 4 H 6 /1-C 4 H 8 /iC 4具有优异的分离能力H 8混合物。
更新日期：2023-11-21
中文翻译：
具有扭曲笼的超微孔ftw型钇基金属有机骨架对C4烯烃的识别
开发用于有效分离 C 4烯烃的多孔吸附剂在石化工业中具有重要意义，但由于其相似的分子尺寸和物理性质而具有挑战性。当通过单一分离机制分离C 4烯烃时，分离效率常常受到限制。在此，报道了一种超微孔钇基MOF，Y-dbai，具有通过小窗口连接的笼状孔，可通过热力学和动力学机制的协同效应识别和有效分离C 4烯烃。在298 K和1 bar下，Y-dbai对C 4 H 6 、1-C 4 H 8和iC 4 H 8的吸附容量分别为2.88、1.07和0.14 mmol g -1 ，表明分子筛对 iC 4 H 8的影响。 Y-dbai的C 4 H 6 /iC 4 H 8和1-C 4 H 8 /iC 4 H 8吸附选择性分别为20.6和7.6，优于大多数报道的吸附剂。静态和动态吸附实验与 DFT 计算相结合表明分离应归因于热力学和动力学控制机制的综合作用。 突破性实验证实了Y-dbai对C 4 H 6 /1-C 4 H 8 、C 4 H 6 /iC 4 H 8和C 4 H 6 /1-C 4 H 8 /iC 4具有优异的分离能力H 8混合物。
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