Density functional theory and kinetic Monte Carlo simulation elucidate the complex pathways of methanol oxidation, as well role different oxygenates in this chemistry, which is important valorisation biomass.

Fast pyrolysis bio-oil requires upgrading in order to be used as an intermediate refinery stream it contains various acids, oxygenates, heavy compounds and water. This work examines the potential of integrating organic phase (called BioMates) a hydrotreated reliable co-processed with light cycle oil (LCO) towards production hybrid fuels. Three blends BioMates LCO were fed hydroprocessing pilot ...

The conversion of different biogenic feedstocks to hydrocarbons is a major challenge when ensuring hydrocarbon and fuel supply in spite the heterogeneity this feed. Flexible adaptation changing compositions mandatory for respective processes. In study, oxygenate model feeds, such as alcohols, aldehydes, carboxylic acids esters, were converted at 500 °C 5 barg H2 using H-ZSM-5 zeolite catalysts ...

Catlas may be used with off-the-shelf pretrained models to explore large design spaces for catalyst discovery and has been here identify promising materials the direct conversion of syngas multi-carbon oxygenates.

Methane is an abundant resource and its direct conversion into value-added chemicals has been attractive subject for efficient utilization. This method can be more than the present energy-intensive indirect of methane via syngas, a mixture CO H2. Among various approaches conversion, selective oxidation oxygenates (e.g., methanol formaldehyde) particularly promising because it proceed at low tem...

Transition metal (Co, Ni, Ru, Rh, Pd and Pt) doped Cu(111) models are selected to examine the effects of transition metals on Cu surface for ethanol synthesis from acetic acid hydrogenation using density functional theory (DFT) calculations. On these surfaces, the adsorption of the main intermediates and reaction barriers of key elementary steps are investigated. The calculation results indicat...

Fast catalytic pyrolysis of wild reed was carried out at 500 ̋C. Waste fluidized catalytic cracking (FCC) catalyst disposed from a petroleum refinery process was activated through acetone-washing and calcination and used as catalyst for pyrolysis. In order to evaluate the catalytic activity of waste FCC catalyst, commercial HY zeolite catalyst with a SiO2/Al2O3 ratio of 5.1 was also used. The b...

PURPOSE To test the hypothesis that breathing carbogen (95% O2-5% CO2) oxygenates the inner retina better than breathing 100% oxygen using an magnetic resonance imaging (MRI) method that noninvasively measures inner retinal oxygenation in normal adult and newborn rats. METHODS Urethane-anesthetized adult and newborn (day 18) rats were studied. Sequential images were acquired in room air combi...