Other projects:

Estimation of Reactions Rates

P-Dependence & Model Construction

Model Reduction and Numerical Toolkit

Adaptive Chemistry for Reacting-Flow Simulations

UV Absorption/ Laser Photolysis

HCCI Engines

Selective Catalysis

Magnetic Fluids as Colloidal Extracant

Selective Catalysis
Yee San Su, B. Anantharaman, W.H. Green
Collaboration with Prof. Jackie Ying

Due to difficulties in transportation from their source, the light alkanes in natural gas are currently underutilized. Partial oxidation pathways avoid deactivation associated with coke formation, making them an attractive alternative to standard pyrolysis methods for alkane-to-alkene conversion. Efforts to create selective partial oxidation catalysts, however, have thus far fallen below economic feasibility requirements. Careful manipulations of catalyst and reactor design must be performed because of the varying and complicated role oxygen plays within these reactions. Simulations can be run to describe the behavior occurring throughout the packed bed. Unlike previous efforts at modeling, we focus on manipulations of basic elementary surface reaction schemes with the aim of defining desired catalyst properties. We have found that the kinetic network imposes a very strict upper bound on the achievable yields from oxidative coupling of methane (OCM), even for a perfect catalyst (i.e. even if all the catalytic reactions run at hard-sphere-collision rates, with no activation barriers to exothermic reactions.)
A metal oxide/LiCl/SZ has been selected as the initial catalytic system due to its flexibility and proven ability for ethane oxidative dehydrogenation. Upon synthesis of selective catalysts, creative reactor design schemes can be applied to maximize alkene yields. In particular, short contact time studies using catalyst-coated monoliths will be examined as a means of preventing product loss through subsequent oxidation.