A kinetic generator of hydrocarbon pyrolysis mechanisms

Estimation of Kinetic Parameters of Coking Reaction Rate in Pyrolysis of Naphtha

The run length of cracking furnaces is limited by the formation of coke on the internal skin of the reactor tubes. The reaction mechanism of thermal cracking of hydrocarbons is generally accepted as free-radical chain reactions. On the basis of the plant output data and the insight in the mechanisms for coke formation in pyrolysis reactors, a kinetic model describing the coke formation has been...

KINETIC STUDIES USING SEMI-EMPIRICAL SELF- CONSISTENT FIELD (SCF) MOLECULAR ORBITAL (MO) METHOD: PARTI. A MODIFIED NEGLECT OF DIATOMIC OVERLAP (MNDO) STUDY OF THE PYROLYSIS OF ETHYL VINYL ETHER

Using a computer code called MOPAC, an acronym for a general Molecular Orbital Package (Quantum Chemistry Programme Exchange (QCPE) Programme No. 455), the geometries and heats of formation of the reactant, the products and the trdnsition state were computed by the MNDO semi- empiricalself consistent field (SCF) method for the pyrolysis of ethyl vinyl ether. ((Force))calculation on the reac...

The cyclopropene pyrolysis story.

Cyclopropene is the last of the small strained ring hydrocarbons to have its thermal decomposition subjected to intensive investigation. This critical review describes the nearly 40 year history of this investigation largely by gas kinetic methods with chromatographic analysis. These studies have revealed that cyclopropenes can decompose by a variety of mechanisms involving diradicals, vinylcar...

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