International Journal of Chemical Kinetics
SCOPUS (1969-2025)SCIE-ISI
1097-4601
0538-8066
Mỹ
Cơ quản chủ quản: John Wiley & Sons Inc. , WILEY
Lĩnh vực:
Organic ChemistryInorganic ChemistryPhysical and Theoretical ChemistryBiochemistry
Các bài báo tiêu biểu
An updated comprehensive kinetic model of hydrogen combustion
Tập 36 Số 10 - Trang 566-575 - 2004
AbstractA comprehensively tested H2/O2 chemical kinetic mechanism based on the
work of Mueller et al. 1 and recently published kinetic and thermodynamic
information is presented. The revised mechanism is validated against a wide
range of experimental conditions, including those found in shock tubes, flow
reactors, and laminar premixed flame. Excellent agreement of the model
predictions with the ex...
Comprehensive H2/O2 kinetic model for high‐pressure combustion
Tập 44 Số 7 - Trang 444-474 - 2012
AbstractAn updated H2/O2 kinetic model based on that of Li et al. (Int J Chem
Kinet 36, 2004, 566–575) is presented and tested against a wide range of
combustion targets. The primary motivations of the model revision are to
incorporate recent improvements in rate constant treatment and resolve
discrepancies between experimental data and predictions using recently published
kinetic models in dilute...
A structure‐activity relationship for the estimation of rate constants for the gas‐phase reactions of OH radicals with organic compounds
Tập 19 Số 9 - Trang 799-828 - 1987
AbstractA previous technique for the calculation of rate constants for the
gas‐phase reactions of the OH radical with organic compounds has been updated
and extended to include sulfur‐ and nitrogen‐containing compounds. The overall
OH radical reaction rate constants are separated into individual processes
involving (a) H‐atom abstraction from CH and OH bonds in saturated organics,
(b) OH radical...
THERM: Thermodynamic property estimation for gas phase radicals and molecules
Tập 23 Số 9 - Trang 767-778 - 1991
AbstractWe have developed a computer code for an IBM PC/XT/AT or compatible
which can be used to estimate, edit, or enter thermodynamic property data for
gas phase radicals and molecules using Benson's group additivity method. The
computer code is called THERM (THermo Estimation for Radicals and Molecules).
All group contributions considered for a species are recorded and thermodynamic
properties ...
Thermal decomposition reaction and a comprehensive kinetic model of dimethyl ether
Tập 40 Số 1 - Trang 1-18 - 2008
AbstractThe unimolecular decomposition reaction of dimethyl ether (DME) was
studied theoretically using RRKM/master equation calculations. The calculated
decomposition rate is significantly different from that utilized in prior work
(Fischer et al., Int J Chem Kinet 2000, 32, 713–740; Curran et al., Int J Chem
Kinet 2000, 32, 741–759). DME pyrolysis experiments were performed at 980 K in a
variabl...
Atmospheric photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate
Tập 12 Số 4 - Trang 231-240 - 1980
AbstractAtmospheric photodissociation rate coefficients and photodissociation
lifetimes for nitromethane, methyl nitrite, and methyl nitrate were calculated
as a function of altitude from their measured visible and near ultraviolet
photoabsorption cross sections at 298 K. The lifetime of methyl nitrite is
nearly independent of altitude and is approximately 2 min. From 0 to 50 km the
lifetime of ni...
O + NNH: A possible new route for NOX formation in flames
Tập 27 Số 11 - Trang 1097-1109 - 1995
AbstractWe propose a new high temperature pathway for NO formation that involves
the reaction of NNH with oxygen atoms. This reaction forms the HNNO* energized
adduct via a rapid combination reaction; HNNO* then rapidly dissociates to NH +
NO. The rate constant for O + NNH NH + NO is calculated via a QRRK chemical
activation analysis to be 3.3 × 1014 T−0.23exp(+510/T) cm3 mol−1 s−1. This
reactio...
Rate constants for the gas‐phase reactions of O3 with a series of monoterpenes and related compounds at 296 ± 2 K
Tập 22 Số 8 - Trang 871-887 - 1990
AbstractRate constants for the gas‐phase reactions of O3 with a series of
monoterpenes and related compounds have been determined at 296 ± 2 K and 740
torr total pressure of air or O2 using a combination of absolute and relative
rate techniques. Good agreement between the absolute and relative rate data was
observed, and the rate constants obtained (in units of 10−17 cm3 molecule−1 s−1)
were: α‐pi...
A pyrolysis mechanism for ammonia
Tập 22 Số 5 - Trang 513-535 - 1990
AbstractThe mechanism of NH3 pyrolysis was investigated over a wide range of
conditions behind reflected shock waves. Quantitative time‐history measurements
of the species NH and NH2 were made using narrow‐linewidth laser absorption.
These records were used to establish an improved model mechanism for ammonia
pyrolysis. The risetime and peak concentrations of NH and NH2 in this
experimental databa...
Rate constants for the gas‐phase reactions of O3 with a series of Terpenes and OH radical formation from the O3 reactions with Sesquiterpenes at 296 ± 2 K
Tập 26 Số 12 - Trang 1193-1205 - 1994
AbstractRate constants for the gas‐phase reactions of O3 with the sesquiterpenes
α‐cedrene, α‐copaene, β‐caryophyllene, α‐humulene, and longifolene, and with the
monoterpenes limonene, terpinolene, α‐phellandrene, and α‐terpinene, have been
measured using a relative rate technique at 296 ± 2 K and atmospheric pressure
of air. The rate constants obtained (in units of 10−17 cm3 molecule−1 s−1) are:
...