Selective Hydrogenation of Acetylene in an Ethylene Rich Flow: Results of Kinetic SImulations

Jason Gislason; Wensheng Xia; Harrell Sellers

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Selective Hydrogenation of Acetylene in an Ethylene Rich Flow: Results of Kinetic SImulations

机译：富乙烯流中乙炔的选择性加氢：动力学模拟的结果

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We have performed kinetic simulations of the behavior of acetylene hydrogenation under ethylene rich conditions at a number of temperatures and feed gas compositions employing Pd and Pd/Ag alloy catalysts. The results of these simulations form a clear and consistent picture as to the origins of selectivity, thermal runaway, oligomer formation, the role of CO as a promoter of selectivity and inhibitor of oligomer formation, and the importance of proton transfer among carbonaceous species. The modeling gives insight into mechanistic details and provides an explanation for the influence of alloying catalyst on these phenomena.

机译：我们已经进行了动力学模拟，研究了乙炔在富乙烯条件下在许多温度下的行为以及采用Pd和Pd / Ag合金催化剂的进料气组成的行为。这些模拟的结果形成了关于选择性，热失控，低聚物形成，CO作为选择性促进剂和低聚物形成抑制剂的作用以及质子在碳质物质之间转移的重要性的清晰一致的画面。该模型提供了对机械细节的洞察力，并提供了合金催化剂对这些现象的影响的解释。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2002年第5期|共8页
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Jason Gislason; Wensheng Xia; Harrell Sellers;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Selective Hydrogenation of Acetylene in an Ethylene Rich Flow: Results of Kinetic SImulations [J] . Jason Gislason, Wensheng Xia, Harrell Sellers The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第5期

机译：富乙烯流中乙炔的选择性加氢：动力学模拟的结果
2. Selective hydrogenation of acetylene in an ethylene-rich stream over silica supported Ag-Ni bimetallic catalysts [J] . Pei Guang Xian, Liu Xiao Yan, Wang Aiqin, Applied Catalysis, A. General: An International Journal Devoted to Catalytic Science and Its Applications . 2017,第期

机译：在二氧化硅中富含乙烯物流中乙炔的选择性氢化Ag-Ni双金属催化剂
3. First-principles-based kinetic Monte Carlo simulation of the selective hydrogenation of acetylene over Pd(111) [J] . Donghai Mei, Priyam A.Sheth, Matthew Neurock Journal of Catalysis . 2006,第1期

机译：基于第一原理的动力学Monte Carlo模拟Pd（111）上乙炔的选择性加氢
4. Selective hydrogenation of acetylene in ethylene-rich feedstocks over novel Pd Ce /Al2O3 catalysts [C] . Chris Hardacre, Loredana Mantarosie, Youssef Saih, 6th international conference on environmental catalysis : Abstract book . 2010

机译：新型Pd Ce / Al2O3催化剂上富乙烯原料中乙炔的选择性加氢
5. Polymer formation, deactivation, and ethylene selectivity decline in palladium/aluminum oxide catalyzed selective acetylene hydrogenation. [D] . LeViness, Stephen Claude. 1989

机译：在钯/氧化铝催化的选择性乙炔加氢中，聚合物的形成，失活和乙烯的选择性下降。
6. BNPd single-atom catalysts for selective hydrogenation of acetylene to ethylene: a density functional theory study [O] . Wanqi Gong, Lihua Kang 2018

机译：用于乙炔选择性加氢成乙烯的BNPd单原子催化剂：密度泛函理论研究
7. Isolated Fe(III)–O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions [O] . María Tejeda-Serrano, Marta Mon, Bethany Ross, 2018

机译：隔离的Fe（III）-O位点在前端工业条件下催化乙烯流中乙炔流动的氢化
8. A Photochemical Study of the Kinetics of the Reactions of NH2 with Phosphine, Ethylene, and Acetylene Using Flash Photolysis-Laser Induced Fluorescence [R] . Bosco, S. R. 1982

机译：闪光光解 - 激光诱导荧光光谱研究NH2与膦，乙烯和乙炔反应动力学

Selective Hydrogenation of Acetylene in an Ethylene Rich Flow: Results of Kinetic SImulations

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