Abstract
The process of conversion of methanol into hydrocarbons and the effect of addition of higher alcohols has been studied by the quantumchemical MNDO method. The calculations have been performed for methanol, ethanol and propanol molecules adsorbed on active centres with different donor-acceptor characters. The investigation of optimized geometries and charge distribution in appropriate clusters lead to a description of the mechanism of conversion in which the methanol carbon extends the olefin chain produced by dehydration or cracking of higher alcohols.
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