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The major reaction paths have been identified through detailed kinetic modeling.
Using reaction path analysis and sensitivity studies, the major reaction paths have been identified.
The major reaction paths for the oxidation of neopentane have been identified through detailed kinetic modeling.
When below 1273 K, the major reaction paths are those that produce C3H4, and above 1273 K, the major reaction paths are those that produce C3H3 from the viewpoint of thermodynamics.
In this work a careful element flux analysis demonstrates that such species do not interact in major reaction paths.
The high-temperature oxidation chemistry of methylamine (CH3NH2) has been investigated by elucidating the major reaction paths under flow reactor conditions.
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Kurimoto et al. [27] also suggested Si diffusion into the Ni layer to form Ni2Si as a major reaction path for the graphite layer formation.
Of the Ni silicide and carbide formations, the former should be by far the major reaction path because the formation enthalpy for Ni silicide is negative (−80 kJ/mol) while that for Ni carbide is positive (30 kJ/mol) [35 37].
The reaction paths to the major products were explained by the combination of electrochemical reactions, 1,4- or 1,2-addition of two fluoride anions to substrate compounds by an ECEC mechanism (which yielded the fluorinated cyclohexadienes) and a chemical reaction (the dehydrofluorination of some fluorinated cyclohexadienes) which yielded fluorobenzenes.
A reaction path analysis was conducted using the integral averaged reaction rates, and the major reaction pathways were identified.
Many commercial processes can take place by alternative reaction paths, and knowledge of the mechanisms makes it possible to choose reaction conditions that favour one path over others.
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