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|
| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-147 |
| Subject |
DFT simulation for the effect of hydrogen and ethene pressures on the competition between ethene oligomerization and hydrogenation reactions catalyzed by tetrakisacetatodirhodium complex |
| Authors |
Hyo Weon Jang
Department of Chemistry, Suncheon National University, Korea |
| Abstract |
In our previous work, a simulation for the hydrogenation reaction pathway of ethene by the title-mentioned complex catalyst was presented. Extending from it, we investigate the competition reactions of hydrogen and ethene for the intermediate ethyl-bound complex compound resulting ethane and butyl-bound complex, respectively. The latter compound may be thought as an intermediate during ethene oligomerization process. The competitions are expected to be controlled by the reactant concentrations, such as the pressures of hydrogen and ethene gases, and, of course, the thermodynamic properties of the related intermediate compounds. Selecting one over the other reaction might be possible by controlling gas pressures only, by simulation, at least. |
| E-mail |
hyo@sunchon.ac.kr |
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121st General Meeting of the KCS