Determination of the Rate Coefficients of the CH4 + O2 → HO2 + CH3 and HCO + O2 → HO2 + CO Reactions at High Temperatures

被引：9

作者：

Ryu, Si-Ok ^{[1
]}

Shin, Kuan Soo ^{[2
,3
]}

Hwang, Soon Muk ^{[4
]}

机构：

[1] Yeungnam Univ, Sch Chem Engn, Gyeongbuk 712749, South Korea

[2] Soongsil Univ, Dept Chem, Seoul 156743, South Korea

[3] Soongsil Univ, Dept Informat Commun Mat & Chem Convergence Techn, Seoul 156743, South Korea

[4] Sci Applicat Int Corp, 3000 Aerosp Pkwy, Brookpark, OH 44142 USA

来源：

BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2017年 / 38卷 / 02期

基金：

新加坡国家研究基金会;

关键词：

Rate coefficient; Shock wave; High temperature; EVALUATED KINETIC-DATA; RATE CONSTANTS; TEMPERATURE-DEPENDENCE; CHEMICAL-KINETICS; LASER PHOTOLYSIS; SHOCK-WAVES; HCO; COMBUSTION; FORMYL; DECOMPOSITION;

D O I：

10.1002/bkcs.11070

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Rate coefficients of the title reactions, R-1 (CH4 + O-2 -> HO2 + CH3) and R-2 (HCO + O-2 -> HO2 + CO) were obtained over T = 1610 - 1810 K and T = 200 - 1760 K, respectively, and at rho = 7.1 mu mol/cm(3). A lean CH4/O-2/Ar mixture (0.1% CH4, Phi = 0.02) was heated behind reflected shock waves and the temporal OH absorption profiles were measured using a laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the experimental profiles via optimization of K-1 and k(2) values in the reaction simulation. The rate coefficient expressions derived are k(1) = 1.46 x 10(14) exp (-26 210 K/T) cm(3)/mol/s, T = 1610 - 1810 K and k(2) = 1.9 x 10(12) T-0.176 exp (-245 K/T) cm(3)/mol/s, T=200 similar to 1760 K.

引用

页码：228 / 236

页数：9

共 50 条

[21] Temperature and Pressure Studies of the Reactions of CH3O2, HO2, and 1,2-C4H9O2 with NO2 [J].

McKee, Kenneth ;

Blitz, Mark A. ;

Pilling, Michael J. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (09) :1408-1420

[22] Effect of the CH3 + O2 Reaction on the Kinetics of Autoignition of Hydrocarbons at High Temperatures [J].

A. M. Tereza ;

E. K. Anderzhanov .

Russian Journal of Physical Chemistry B, 2019, 13 :626-631

[23] Theoretical Prediction of Rate Constants for Hydrogen Abstraction by OH, H, O, CH3, and HO2 Radicals from Toluene [J].

Li, Shu-Hao ;

Guo, Jun-Jiang ;

Li, Rui ;

Wang, Fan ;

Li, Xiang-Yuan .

JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (20) :3424-3432

[24] Combustion and Detonation Waves in Gas Mixtures of CH4/Air, CH4/O2, and O2/Coal Dust [J].

Pinaev, A., V ;

Pinaev, P. A. .

COMBUSTION EXPLOSION AND SHOCK WAVES, 2020, 56 (06) :670-681

[25] Combustion and Detonation Waves in Gas Mixtures of CH4/Air, CH4/O2, and O2/Coal Dust [J].

A. V. Pinaev ;

P. A. Pinaev .

Combustion, Explosion, and Shock Waves, 2020, 56 :670-681

[26] A Theoretical Study of H-Abstractions of Benzaldehyde by H, O3(P), 3O2, OH, HO2, and CH3 Radicals: Ab Initio Rate Coefficients and Their Uncertainty Quantification [J].

Zhao, Hao ;

Zhang, Yingjia ;

Zhao, Qian ;

Li, Yang ;

Huang, Zuohua .

JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 126 (41) :7523-7533

[27] Critical evaluation of the potential energy surface of the CH3 + HO2 reaction system [J].

Farago, E. P. ;

Szori, M. ;

Owen, M. C. ;

Fittschen, C. ;

Viskolcz, B. .

JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (05)

[28] Direct estimation of the rate constant of the reaction ClO + HO2 → HOCl + O2 from SMILES atmospheric observations [J].

Kuribayashi, K. ;

Sagawa, H. ;

Lehmann, R. ;

Sato, T. O. ;

Kasai, Y. .

ATMOSPHERIC CHEMISTRY AND PHYSICS, 2014, 14 (01) :255-266

[29] The Reaction of HO2 and CH3O2: CH3OOH Formed from the Singlet Electronic State Surface [J].

Thanh Lam Nguyen ;

Stanton, John F. .

ATMOSPHERE, 2022, 13 (09)

[30] Ionic Route to Atmospheric Relevant HO2 and Protonated Formaldehyde from Methanol Cation and O2 [J].

Satta, Mauro ;

Catone, Daniele ;

Castrovilli, Mattea Carmen ;

Nicolanti, Francesca ;

Cartoni, Antonella .

MOLECULES, 2024, 29 (07)

← 1 2 3 4 5 →