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Dense open metal sites in a microporous metal–organic framework for deep desulfurization with record-high sulfur dioxide storage density
AIChE Journal ( IF 3.7 ) Pub Date : 2022-06-17 , DOI: 10.1002/aic.17811 Zhenliang Zhu 1 , Ke Wu 1 , Xing Liu 1 , Peixin Zhang 1 , Shixia Chen 1 , Jingwen Chen 1 , Qiang Deng 1 , Zheling Zeng 1 , Shuguang Deng 2 , Jun Wang 1
AIChE Journal ( IF 3.7 ) Pub Date : 2022-06-17 , DOI: 10.1002/aic.17811 Zhenliang Zhu 1 , Ke Wu 1 , Xing Liu 1 , Peixin Zhang 1 , Shixia Chen 1 , Jingwen Chen 1 , Qiang Deng 1 , Zheling Zeng 1 , Shuguang Deng 2 , Jun Wang 1
Affiliation
Dry desulfurization employing porous adsorbents is industrially preferred but efficient capture of sulfur dioxide (SO2) at the ultralow concentration (i.e., 2000 ppm) is exceptionally challenging. Metal–organic frameworks with open metal sites (OMSs) can provide sufficient interactions with SO2, which, in turn, will degrade or compromise the structural robustness. Herein, we reported Cu-ATC that contains dense oppositely positioned Cu OMSs for efficient trace SO2 removal. Explicitly, Cu-ATC adsorbs a benchmark amount of SO2 (5.3 mmol g−1) at 0.01 bar with a record-high SO2 storage density of 2.23 g cm−3 at ambient conditions. The critical role of OMSs has been confirmed by the partially desolvated sample with declined uptakes and adsorption enthalpy. The desulfurization performances have been validated by multicycle breakthrough experiments even with mimic flue-gas and water vapor. Computational simulations identify the adsorption sites at the molecular level. Combined with the high stability under various conditions, Cu-ATC is a potent candidate for industrial implementation.
中文翻译:
微孔金属有机框架中密集的开放金属位点用于深度脱硫,二氧化硫存储密度创历史新高
采用多孔吸附剂的干法脱硫在工业上是优选的,但在超低浓度(即 2000 ppm)下有效捕获二氧化硫 (SO 2 ) 极具挑战性。具有开放金属位点 (OMS) 的金属有机框架可以提供与 SO 2的充分相互作用,这反过来会降低或损害结构的稳健性。在此,我们报道了含有致密相对位置的 Cu OMS 的 Cu-ATC,可有效去除痕量 SO 2。明确地,Cu-ATC在 0.01 bar下吸附了基准量的 SO 2 (5.3 mmol g -1 ),SO 2存储密度达到创纪录的 2.23 g cm -3在环境条件下。OMS 的关键作用已通过吸收和吸附焓下降的部分去溶剂化样品得到证实。即使在模拟烟气和水蒸气的情况下,脱硫性能也已通过多循环突破实验得到验证。计算模拟在分子水平上识别吸附位点。结合各种条件下的高稳定性,Cu-ATC 是工业应用的有力候选者。
更新日期:2022-06-17
中文翻译:
微孔金属有机框架中密集的开放金属位点用于深度脱硫,二氧化硫存储密度创历史新高
采用多孔吸附剂的干法脱硫在工业上是优选的,但在超低浓度(即 2000 ppm)下有效捕获二氧化硫 (SO 2 ) 极具挑战性。具有开放金属位点 (OMS) 的金属有机框架可以提供与 SO 2的充分相互作用,这反过来会降低或损害结构的稳健性。在此,我们报道了含有致密相对位置的 Cu OMS 的 Cu-ATC,可有效去除痕量 SO 2。明确地,Cu-ATC在 0.01 bar下吸附了基准量的 SO 2 (5.3 mmol g -1 ),SO 2存储密度达到创纪录的 2.23 g cm -3在环境条件下。OMS 的关键作用已通过吸收和吸附焓下降的部分去溶剂化样品得到证实。即使在模拟烟气和水蒸气的情况下,脱硫性能也已通过多循环突破实验得到验证。计算模拟在分子水平上识别吸附位点。结合各种条件下的高稳定性,Cu-ATC 是工业应用的有力候选者。