(295c) Catalytic Pathways Identification of Glycerol Steam Reforming Based On a Dual-Active-Site Mechanism

Glycerol is a waste by-product from the transesterification involved in biodiesel synthesis. Converting it to high value-added products can ease its over-supply. This can be accomplished by reforming glycerol into high purity hydrogen for which nickel-based catalysts are most often deployed. Nevertheless, the coexistence of both acidic and basic active sites renders it difficult to gain in-depth understanding of its reaction pathways. Exhaustive identification of feasible pathways allows us to design a Ni catalyst, thereby facilitating the practical implementation of glycerol steam reforming. The current contribution explores nineteen reaction steps, including the most abundant intermediates derived from glycerol, based on a dual-active site mechanism adapted from Cheng et al. (2011). Six independent pathways and twenty-one acyclic pathways have been generated through a graph-theoretic method based on P-graphs within one second on a PC (Pentium 4, CPU 3.06 GHz, and 1 GB RAM). This makes it possible to establish a kinetic model via analysis based on the Langmuir-Hinshelwood formalism, thereby providing a platform for rational catalyst design. 

Reference:

K.C. Cheng, Y. F. Say, and A. A. Adesina, Catalysis Today 178 (2011) 25-33.