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Enhancement of light olefins production in CO2 hydrogenation over In2O3-based oxide and SAPO-34 composite
Journal of Catalysis ( IF 6.5 ) Pub Date : 2020-09-17 , DOI: 10.1016/j.jcat.2020.09.010
Sen Wang , Pengfei Wang , Zhangfeng Qin , Wenjun Yan , Mei Dong , Junfen Li , Jianguo Wang , Weibin Fan

Indium-based oxides are potential for CO2 hydrogenation to methanol. However, upon complexing with SAPO-34, they give a C2= – C4= yield below 7.3% due to production of large amounts of CO and CH4 at high CO2 conversion. Therefore, a large improvement of the C2= – C4= yield over indium-based oxide and zeolite composite is a challenge. In this context, InCeOx and InCrOx oxides are prepared here and found to produce more methanol than In2O3 or In-Zr oxide. Experimental and DFT calculation results reveal that incorporation of Ce or Cr into In2O3 generates more surface oxygen vacancies and enhances the electronic interaction between HCOO* intermediates and catalyst surface, which decreases HCOO* and CH3OH formation free energy barriers and enthalpy barriers. Compared to InCeOx(0.13) and In2O3, InCrOx(0.13) shows higher catalytic activity for CO2 hydrogenation, and by coupling with SAPO-34, it gives a C2= – C4= yield of 1.5 – 2.0 times of those obtained on In2O3/SAPO-34 and In-Zr/SAPO-34 at CO2 conversion of 33.6%.



中文翻译:

In 2 O 3基氧化物和SAPO-34复合材料可提高CO 2加氢中轻烯烃的产量

铟基氧化物有可能将CO 2加氢为甲醇。但是,与SAPO-34络合后,由于在高CO 2转化率下产生大量CO和CH 4,它们的C 2 = – C 4 =收率低于7.3%。因此,与铟基氧化物和沸石复合材料相比,C 2 = – C 4 =产率的大幅提高是一个挑战。在这种情况下,此处制备了InCeO x和InCrO x氧化物,发现它们比In 2 O 3产生更多的甲醇。或In-Zr氧化物。实验和DFT计算结果表明,将Ce或Cr掺入In 2 O 3中会产生更多的表面氧空位,并增强HCOO *中间体与催化剂表面之间的电子相互作用,从而降低HCOO *和CH 3 OH形成的自由能垒和焓垒。 。与InCeO x(0.13)和In 2 O 3相比,InCrO x(0.13)显示出更高的CO 2加氢催化活性,并且通过与SAPO-34偶联,得到的C 2 = – C 4 =收率1.5 – 2.0 In 2 O上获得的那些的时间3 / SAPO-34和In-Zr / SAPO-34在CO 2转化率为33.6%的情况下。

更新日期:2020-09-18
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