Ru-Catalyzed Steam Methane Reforming: Mechanistic Study from First Principles Calculations

From natural gas to ethylene: a study on combining oxidative coupling of methane with steam reforming

Production of hydrogen by unmixed steam reforming of methane

Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations.

Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, ...

Stepwise methane steam reforming: a route to CO-free hydrogen

A method for the production of clean hydrogen is demonstrated. The process consists of two steps involving the decomposition of methane to CO-free hydrogen and surface carbon in the first step followed by steam gasification of this surface carbon in the second step. This process can be operated in cycles and could be an excellent hydrogen source for fuel cells and other devices or processes req...

CFD-simulation of membrane reactor for methane steam reforming

A membrane reactor is a reaction system that provides higher productivity and lower separation cost in chemical reaction processes. In this paper, packed bed catalytic membrane reactor with palladium membrane for methane steam reforming was analyzed both experimentally and numerically. The numerical model consists of a full set of partial differential equations derived from conservation of mass...