Author(s):   Singla, M.; Rasmussen, M.L.; Hashemi, H.; Wu, H.; Glarborg, P.; Pelucchi, M.; Faravelli, T.; Marshall, P.
Title:   Ab initio calculations and kinetic modeling of thermal conversion of methyl chloride: implications for gasification of biomass
Journal:   Phys. Chem. Chem. Phys.
Volume:   20
Page(s):   10741 - 10752
Year:   2018
Reference type:   Journal article
Squib:   2018SIN/RAS10741-10752

Associated entries:

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Rate expression: k(T) = A (T/298 K)ⁿ e^-Ea/RT
Rate expression units:
First order: s^-1
Second order: cm³/molecule s
Third order: cm⁶/molecule² s
R = 8.314472 J / mole K

Energy Units	J	Molecular Units	Molecule
Pressure Units	bar	Temperature Units	K
Base Volume Unit	cm	Reference Temperature	298.0
Evaluation Temperature	298.0

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Plot		Squib		Reaction		Temp [K]		A		n		Ea [J/mole]		k(298.00 K)		Order
		2018SIN/RAS10741-10752		·CH₂Cl + O₂ → HC(O)Cl + ·OH		700 - 2500		4.44E-16		2.72		3.95E04				2
		2018SIN/RAS10741-10752		CH₃Cl + C₂H₃ → C₂H₄ + ·CH₂Cl		700 - 2500		5.56E-15		3.54		1.69E04				2

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