Modeling of the catalytic oxidative coupling of methane
Conference
·
OSTI ID:5745010
Catalytic reaction equations describing processes typical of oxidative coupling catalysts were incorporated into a gas-phase, chemical kinetics model. Modeling is used to predict limits in C{sub 2} yield, describe product trends as a function of gas-phase and generalized catalyst behavior and use these results as a guide to catalyst design. The catalytic reaction set included methane activation, hydrocarbon activation and/or product oxidation. A combined hydrodynamic, chemical kinetics and transport model (HCT) utilizing 140 gas-phase reaction equations plus the catalytic set was employed. The model predicts that a highly selective and active catalyst would be capable of yielding adequate C{sub 2} hydrocarbons to justify production. However, a highly selective catalyst with activity characteristic of current oxidative coupling catalysts is predicted to yield no more than 35% C{sub 2} hydrocarbons. Any non- selective catalytic reactions lead to unacceptably low yields of C{sub 2} hydrocarbons. A significant finding of this work is the determination of a window'' of catalyst activity where both thermally-induced and catalytic reactions affect the products. For lower catalyst activities, gas-phase processes determine the outcome; for higher catalyst activities, the selectivity of the catalyst determines the product distribution.
- Research Organization:
- Lawrence Livermore National Lab., CA (United States)
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 5745010
- Report Number(s):
- UCRL-JC-109148; CONF-920444--15; ON: DE92008554
- Country of Publication:
- United States
- Language:
- English
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