Reaction mechanism of methanol dehydrodenation on sodium carbonate catalyst
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Density functional calculations applying periodic boundary conditions have been performed to investigate adsorption and cracking of light alkanes (C 3-C 6) on zeolite H-ZSM-5. Intrinsic energy barriers were obtained from single-point calculations by applyi ...
Hydrogen is one of the essential reactants in the chemical industry, though its generation from renewable sources and storage in a safe and reversible manner remain challenging. Formic acid (HCO2H or FA) is a promising source and storage material in this r ...
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Monitoring, control and optimization of chemical reaction systems often requires in-depth analysis of the underlying reaction mechanisms. This dissertation investigates appropriate tools that facilitate the analysis of homogeneous and gas-liquid reaction s ...
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Sequential enyne cross-metathesis reactions of arylalkynes with ethylene followed by atom transfer radical addition (ATRA) with ethyl dichloroacetate or dichloroacetonitrile provide 1,5-dichloropent-2-ene derivatives. The second-generation Grubbs alkyliden ...
A just cause: Fukuzumi and co-workers have employed experimental methods to tease out “cause and effect” relationships between subtle modification of the catalyst design or reaction conditions and the resultant changes in the homogeneous oxygen-reduction m ...