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A Highly Active In Situ Zn(CH3COO)2-NC Catalyst for the Acetoxylation of Acetylene
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2022-01-18 , DOI: 10.1021/acs.iecr.1c04182 Zhuang Xu 1 , Xunchao Zhang 1 , Mengli Li 1 , Xugen Wang 1, 2 , Mingyuan Zhu 1, 2 , Bin Dai 1, 2
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2022-01-18 , DOI: 10.1021/acs.iecr.1c04182 Zhuang Xu 1 , Xunchao Zhang 1 , Mengli Li 1 , Xugen Wang 1, 2 , Mingyuan Zhu 1, 2 , Bin Dai 1, 2
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A new catalyst, in situ Zn(CH3COO)2-NC, is prepared by a facile in situ generation method. With impregnation, drying, and high-temperature treatment, the precursor was obtained and then activated by acetic acid, generating Zn(OAc)2-iNC catalyst in situ. According to X-ray diffraction, high-resolution transmission electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, and other characterizations, ZnO could generate Zn(CH3COO)2. In addition, Zn–N bonds were formed after Zn combined with N elements, and the initially stacked zinc elements uniformly dispersed on the carrier during the in situ generation. After investigating the reaction process and reaction mechanism, the catalyst structure was obtained by DFT theory and Gaussian software calculations. The Zn(CH3COO)2-iNC catalysts had better catalytic performances compared with the traditional industrial Zn(CH3COO)2/AC catalysts, while the conversion rate on Zn(CH3COO)2-iNC catalysts was 280% times that on Zn(CH3COO)2/AC catalysts. After 72-h of stable operation, the conversion rate remained high at 98%.
中文翻译：
用于乙炔乙酰氧基化的高活性原位 Zn(CH3COO)2-NC 催化剂
通过简便的原位生成方法制备了一种新的催化剂原位 Zn(CH 3 COO) 2 -NC。通过浸渍、干燥和高温处理，得到前驱体，然后用乙酸活化，原位生成 Zn(OAc) 2 -iNC 催化剂。根据X射线衍射、高分辨透射电子显微镜、热重分析、X射线光电子能谱等表征，ZnO可以生成Zn(CH 3 COO) 2. 此外，Zn与N元素结合后形成Zn-N键，初始堆叠的锌元素在原位生成过程中均匀分散在载体上。在研究了反应过程和反应机理后，通过DFT理论和高斯软件计算得到了催化剂的结构。与传统工业用Zn(CH 3 COO) 2 /AC催化剂相比， Zn(CH 3 COO) 2 -iNC催化剂具有更好的催化性能，而Zn(CH 3 COO) 2 -iNC催化剂的转化率为280%倍Zn(CH 3 COO) 2 /AC 催化剂上的结果。稳定运行72小时后，转化率保持在98%的高位。
更新日期：2022-01-26
中文翻译：
用于乙炔乙酰氧基化的高活性原位 Zn(CH3COO)2-NC 催化剂
通过简便的原位生成方法制备了一种新的催化剂原位 Zn(CH 3 COO) 2 -NC。通过浸渍、干燥和高温处理，得到前驱体，然后用乙酸活化，原位生成 Zn(OAc) 2 -iNC 催化剂。根据X射线衍射、高分辨透射电子显微镜、热重分析、X射线光电子能谱等表征，ZnO可以生成Zn(CH 3 COO) 2. 此外，Zn与N元素结合后形成Zn-N键，初始堆叠的锌元素在原位生成过程中均匀分散在载体上。在研究了反应过程和反应机理后，通过DFT理论和高斯软件计算得到了催化剂的结构。与传统工业用Zn(CH 3 COO) 2 /AC催化剂相比， Zn(CH 3 COO) 2 -iNC催化剂具有更好的催化性能，而Zn(CH 3 COO) 2 -iNC催化剂的转化率为280%倍Zn(CH 3 COO) 2 /AC 催化剂上的结果。稳定运行72小时后，转化率保持在98%的高位。
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