Light hydrocarbon gas conversion using halogenated porphyrin catalysts
Conference
·
OSTI ID:10182187
- Sandia National Labs., Albuquerque, NM (United States). Fuel Science Dept.
Enzymes such at the cytochromes P450 are known to catalyze the partial oxidation of unactivated alkanes to alcohols. Analysis of these natural systems indicates structural features needed to create a biomimetic catalyst which will mimic the enzyme`s high catalytic activity and selectivity. Metalloporphyrins have been reported to catalyze the oxidation of light alkanes to alcohols under mild conditions using molecular oxygen as the oxidant without the need for added co-reductant. The authors are attempting to develop more active catalysts for this process, toward the goal of obtaining a catalyst which is active enough to convert methane to methanol. They are using computer-aided molecular design (CAMD) in conjunction with activity testing to develop improved metalloporphyrin catalysts. The authors stepwise approach to catalyst development involves first using CAMD techniques to design potential porphyrin catalysts, followed by the synthesis and characterization of promising catalysts, and finally subjecting these catalysts to bench scale activity testing. Catalyst testing experiments give insights into important structure-activity relationships which are used to evaluate and refine their modeling tools so that better catalysts can be developed.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 10182187
- Report Number(s):
- SAND--94-2117C; CONF-9409168--4; ON: DE94018736; BR: GB0103012
- Country of Publication:
- United States
- Language:
- English
Similar Records
Biomimetic catalyst development for natural gas conversion
Computer-aided molecular design of alkane-activation catalysts. [Manganese tetra(pentafluorophenyl) porphyrin; manganese tetra(2'-carboranylphenyl-anilide) porphyrin chloride; manganese chloride derivative of tetra(2',6'-dinitrophenyl) porphyrin free base]
Use of molecular modeling to design alkane activation catalysts
Conference
·
Fri Dec 30 23:00:00 EST 1994
·
OSTI ID:254828
Computer-aided molecular design of alkane-activation catalysts. [Manganese tetra(pentafluorophenyl) porphyrin; manganese tetra(2'-carboranylphenyl-anilide) porphyrin chloride; manganese chloride derivative of tetra(2',6'-dinitrophenyl) porphyrin free base]
Conference
·
Thu Dec 31 23:00:00 EST 1987
·
OSTI ID:6917091
Use of molecular modeling to design alkane activation catalysts
Conference
·
Fri Jul 28 00:00:00 EDT 1989
·
OSTI ID:6001349