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Updated: Mar 14, 2026

Ethylene Polymerizations Using Parallel Pressure Reactors and a Kinetic Analysis of Chain Transfer Polymerization
Published on: November 27, 2015
Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theory
Yuchun Wang1, Xiuqin Dong1, Yingzhe Yu1
1Key Laboratory for Green Chemical Technology of Ministry of Education, R&D Center for Petrochemical Technology, Tianjin University, Tianjin, China and Tianjin University R&D Center for Petrochemical Technology, Tianjin University, Tianjin, China.
Abstract:
The comprehensive formation network of ethylidyne (CH3C) from ethylene (CH2CH2) is investigated on Pt(100) and Pd(100) using the density functional theory method. The structural and energetic features of all intermediate products were considered. We found that the trend of the activation barriers in each pathway on Pt(100) and Pd(100) are the same, whereas the barriers on Pt(100) are higher than that on Pd(100). The activation barriers of 1,2-H shift reactions are relatively high compared with the other reactions. We screened three possible pathways and selected the optimal route as CH2CH2(ethylene) → CH2CH(vinyl) → CH2C(vinylidene) → CH3C(ethylidyne).
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