A screening study of the steam reforming reaction on clean and oxygen covered early transitionmetal carbides surfaces is performed by means of density-functional theory calculations. It is found that carbides provide a wide spectrum of reactivities, from too reactive via suitable to too inert. Several molybdenum-based systems are identified as possible steam reforming catalysts. The findings su...

Two new monoterpenes: ((1S,2R,3R,5S)-2-hydroxymethyl-6,6-dimethylbicyclo[3.1.1]heptane-2,3diol (1) and (3R)-6,6-dimethyl-4-methylenebicyclo[3.1.1]heptane-1,3-diol-3-O-β-D-glucopyranoside (2), along with three known compounds, namely, sobrerol (3), (1R,2S,5S)-2,8-p-menth-diol (4) and (lR,5S)-10hydroxyverbenon (5), were isolated from aerial part of Tithonia diversifolia. Their structures were det...

Internally reforming anode supported solid-oxide fuel cells (SOFC) running on humidified CH4 is studied numerically. The computational framework employs detailed multi-step models for heterogeneous chemistry for Ni catalysts. The electrochemistry is implemented using a modified Butler–Volmer setting based on elementary charge transfer kinetics. Transport through the porous matrix is modeled usi...

A new multicylinder microchamber reactor is designed on autothermal reforming of methane for hydrogen production, and its performance and thermal behavior, that is, based on the reaction mechanism, is numerically investigated by varying the cylinder radius, cylinder spacing, and cylinder layout. The results show that larger cylinder radius can promote reforming reaction; the mass fraction of me...

Steam reforming of the crude glycerol by-product of a biodiesel production plant has been evaluated experimentally at atmospheric pressure, with and without in situ CO(2) sorption, in a continuous flow fixed-bed reactor between 400 degrees C and 700 degrees C. The process outputs were compared to those using pure glycerol. Thermodynamic equilibrium calculations were used to assess the effect on...

Kinetic and isotopic tracer methods led to a simple and unifying mechanistic proposal for reactions of CH4 with CO2 and H2O, for its decomposition on Rh clusters, and for water–gas shift reactions. Kinetic rates for forward reactions were measured by correcting net rates for approach to equilibrium and by eliminating transport artifacts. These rates were proportional to CH4 pressure (5–450 kPa)...