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- W2608195260 abstract "Detailed kinetic mechanism of the CH3OO + NO reaction was intensively investigated using the accurate composite W1U method and the state-of-the-art deterministic-stochastic Rice-Ramsperger-Kassel-Marcus/Master Equation (RRKM/ME) statistical rate models. The temperature- and pressure-dependent behaviors, including the time-resolved species profiles as well as rate coefficients of the elementary reactions, were rigorously characterized in a wide range of conditions (T = 298–1500 K & P = 7.6–76,000 Torr). The computed thermodynamic data and rate coefficients are in good agreement with literature data in which the CH3O + NO2 product was found to be the most dominant channel. The detailed kinetic sub-mechanism, consisting of all calculated thermodynamic and kinetic data in NASA format, was explicitly provided for further detailed kinetic modeling and simulation of NOx-related applications in atmosphere and combustion." @default.
- W2608195260 created "2017-05-05" @default.
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- W2608195260 date "2017-08-01" @default.
- W2608195260 modified "2023-10-14" @default.
- W2608195260 title "Detailed kinetic mechanism for CH 3 OO + NO reaction – An ab initio study" @default.
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- W2608195260 doi "https://doi.org/10.1016/j.comptc.2017.04.015" @default.
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