A theoretical investigation into thiophenic derivative cracking mechanism over acidic and cation-exchanged beta zeolites
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چکیده
منابع مشابه
Entropy considerations in monomolecular cracking of alkanes on acidic zeolites
Compensation between adsorption entropies and enthalpies results in less than a two-fold variation in adsorption equilibrium constants for C3–C6 alkanes at temperatures relevant for monomolecular cracking; the size-independent activation energy for C–C bond activation in C3–C6 alkanes indicates that the marked increase in monomolecular cracking turnover rates observed with alkane chain size ref...
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The kinetics of alkane cracking in zeolites MFI and FAU have been simulated theoretically from first principles. The apparent rate coefficient for alkane cracking was described as the product of the number of alkane molecules per unit mass of zeolite that are close enough to a Brønsted-acid site to be in the reactant state for the cleavage of a specific C-C bond and the intrinsic rate coefficie...
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The direct catalytic conversion of methane to liquid oxygenated compounds, such as methanol or dimethyl ether, at low temperature using molecular oxygen is a grand challenge in C-H activation that has never been met with synthetic, heterogeneous catalysts. We report the first demonstration of direct, catalytic oxidation of methane into methanol with molecular oxygen over copper-exchanged zeolit...
متن کاملTowards a Better Understanding of Over Exchanged Metal Sorption onto Zeolites
LaTonia Belcher and Sarah Teren under the supervision of: John Regalbuto and Marc Schreier Department of Chemical Engineering University of Illinois at Chicago ______________________________________________________________________ ABSTRACT: Currently the procedure on how to make over exchanged Cu-ZSM-5 is well known and can be made at many different exchange rates [1]. However, no one understan...
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ژورنال
عنوان ژورنال: Computational and Theoretical Chemistry
سال: 2015
ISSN: 2210-271X
DOI: 10.1016/j.comptc.2015.10.019