| Autor: |
Qin, Zu‐zeng, Su, Tong‐ming, Ji, Hong‐bing, Jiang, Yue‐xiu, Liu, Rui‐wen, Chen, Jian‐hua |
| Předmět: |
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| Zdroj: |
AIChE Journal; May2015, Vol. 61 Issue 5, p1613-1627, 15p |
| Abstrakt: |
An intrinsic kinetics model was established for CO2 hydrogenation to dimethyl ether (DME) with a Cu-Fe-Zr/HZSM-5 catalyst based on H2/CO2 adsorption, simulation, and calculation of methanol synthesis from CO2 intermediates and experimental data. H2/CO2-temperature programmed desorption results show a dissociative H2 adsorption on Cu site; CO2 was linearly adsorbed on Fe3O4 weak base sites of the catalyst; the adsorbing capacity of H2 and CO2 increased after Zr-doping. Density functional theory analysis of methanol synthesis from CO2 and H2 revealed a formate pathway. Methanol synthesis was the rate-limiting step (173.72 kJ·mol−1 activation energy) of the overall CO2 hydrogenation reaction, and formation of H2CO is the rate-determining step of methanol synthesis. Relative errors between calculated and experimental data of partial pressures of all components were less than 10%. Therefore, the kinetics model may be an accurate descriptor of intrinsic kinetics of CO2 hydrogenation to DME. © 2015 American Institute of Chemical Engineers AIChE J, 61: 1613-1627, 2015 [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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