International Journal of Chemical Kinetics
SCOPUS (SonsInc.)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 combustionAbstract A 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 experimental observations demonstrates that the mechanism is comprehensive and has good predictive capabilities for different experimental systems, including new results published subsequent to the work of Mueller et al. hiện toàn bộ
Tập 36 Số 10 - Trang 566-575 - 2004
Comprehensive H2/O2 kinetic model for high‐pressure combustionAbstract An 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 dis... ... hiện toàn bộ
Tập 44 Số 7 - Trang 444-474 - 2012
A structure‐activity relationship for the estimation of rate constants for the gas‐phase reactions of OH radicals with organic compoundsAbstract A 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 ... ... hiện toàn bộ
Tập 19 Số 9 - Trang 799-828 - 1987
THERM: Thermodynamic property estimation for gas phase radicals and moleculesAbstract We 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 recor... ... hiện toàn bộ
Tập 23 Số 9 - Trang 767-778 - 1991
Thermal decomposition reaction and a comprehensive kinetic model of dimethyl etherAbstract The 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... hiện toàn bộ
Tập 40 Số 1 - Trang 1-18 - 2008
Atmospheric photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrateAbstract Atmospheric 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. F... ... hiện toàn bộ
Tập 12 Số 4 - Trang 231-240 - 1980
O + NNH: A possible new route for NOX formation in flamesAbstract We 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... hiện toàn bộ
Tập 27 Số 11 - Trang 1097-1109 - 1995
Rate constants for the gas‐phase reactions of O3 with a series of monoterpenes and related compounds at 296 ± 2 KAbstract Rate 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 th... ... hiện toàn bộ
Tập 22 Số 8 - Trang 871-887 - 1990
A pyrolysis mechanism for ammoniaAbstract The 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... ... hiện toàn bộ
Tập 22 Số 5 - Trang 513-535 - 1990
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 KAbstract Rate 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... ... hiện toàn bộ
Tập 26 Số 12 - Trang 1193-1205 - 1994