Kinetics of the reaction of vinyl radicals with NO: Ab initio theory, master equation predictions, and laser absorption measurements

2004 ◽  
Vol 6 (9) ◽  
pp. 2216-2223 ◽  
Author(s):  
Frank Striebel ◽  
Leonard E. Jusinski ◽  
Askar Fahr ◽  
Joshua B. Halpern ◽  
Stephen J. Klippenstein ◽  
...  
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Laser Absorption ◽  
Ab Initio Theory ◽  
Vinyl Radicals ◽  
Kinetics Of ◽  
Absorption Measurements

scholarly journals Ab initio pressure-dependent reaction kinetics of methyl propanoate radicals

2015 ◽  
Vol 17 (46) ◽  
pp. 31061-31072 ◽  
Author(s):  
Ting Tan ◽  
Xueliang Yang ◽  
Yiguang Ju ◽  
Emily A. Carter
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Reaction Kinetics ◽  
Unimolecular Dissociation ◽  
High Level ◽  
Kinetics Of ◽  
Methyl Propanoate

The unimolecular dissociation and isomerization kinetics of the three methyl propanoate (MP) radicals, CH3CH2C(O)OĊH2 (MP-m), CH3ĊHC(O)OCH3 (MP-α), and ĊH2CH2C(O)OCH3 (MP-β), are theoretically investigated using high-level ab initio methods and the Rice–Ramsperger–Kassel–Marcus (RRKM)/master equation (ME) theory.

Reaction Kinetics of CO + HO2→ Products:  Ab Initio Transition State Theory Study with Master Equation Modeling†

2007 ◽  
Vol 111 (19) ◽  
pp. 4031-4042 ◽  
Author(s):  
Xiaoqing You ◽  
Hai Wang ◽  
Elke Goos ◽  
Chih-Jen Sung ◽  
Stephen J. Klippenstein
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Master Equation ◽  
Reaction Kinetics ◽  
Transition State Theory ◽  
State Theory ◽  
Equation Modeling ◽  
Kinetics Of

Ab initio kinetics of the HOSO2 + 3O2 → SO3 + HO2 reaction

2018 ◽  
Vol 20 (9) ◽  
pp. 6677-6687 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Minh V. Duong ◽  
Hieu T. Nguyen ◽  
Lam K. Huynh
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Master Equation ◽  
Electronic Structure Calculations ◽  
Kinetic Mechanism ◽  
Pivotal Role ◽  
Rate Model ◽  
Kinetics Of ◽  
Detailed Kinetic Mechanism ◽  
Structure Calculations

The detailed kinetic mechanism of the HOSO2 + 3O2 reaction, which plays a pivotal role in the atmospheric oxidation of SO2, was investigated using accurate electronic structure calculations and novel master equation/Rice–Ramsperger–Kassel–Marcus (ME/RRKM) rate model.

High-Bandwidth Laser-Absorption Measurements of Temperature, Pressure, CO, and H2O in the Annulus of a Rotating Detonation Rocket Engine

2021 ◽  
Author(s):  
Garrett C. Mathews ◽  
Matthew Blaisdell ◽  
Aaron I. Lemcherfi ◽  
Carson D. Slabaugh ◽  
Christopher S. Goldenstein
Keyword(s):  
Rocket Engine ◽  
Laser Absorption ◽  
High Bandwidth ◽  
Rotating Detonation ◽  
Absorption Measurements

Temperature Dependent Kinetics of the OH/HO2/O3Chain Reaction by Time-Resolved IR Laser Absorption Spectroscopy

2000 ◽  
Vol 104 (17) ◽  
pp. 3964-3973 ◽  
Author(s):  
Sergey A. Nizkorodov ◽  
Warren W. Harper ◽  
Bradley W. Blackmon ◽  
David J. Nesbitt
Keyword(s):  
Absorption Spectroscopy ◽  
Laser Absorption Spectroscopy ◽  
Temperature Dependent ◽  
Time Resolved ◽  
Laser Absorption ◽  
Ir Laser ◽  
Kinetics Of
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