Development of a Detailed Kinetic Model for Hydrogen Oxidation in Supercritical H2O/CO2 Mixtures

被引：26
作者：
Li, Guoxing [1 ]
Lu, Youjun [1 ]
Glarborg, Peter [2 ]
机构：
[1] Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Xian 710049, Shaanxi, Peoples R China
[2] Tech Univ Denmark, Dept Chem & Biochem Engn, DK-2800 Lyngby, Denmark
来源：
ENERGY & FUELS | 2020年 / 34卷 / 12期
基金：
中国国家自然科学基金;
关键词：
CARBON-MONOXIDE; RECOMBINATION REACTION; SHOCK-TUBE; PRESSURE-DEPENDENCE; RATE CONSTANTS; FLOW REACTOR; WATER; COMBUSTION; MECHANISM; TEMPERATURE;
D O I：
10.1021/acs.energyfuels.0c01914
中图分类号：
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号：
0807 ; 0820 ;
摘要：
The application of hydrogen as a fuel or auxiliary fuel has extended beyond gas-phase conditions. This paper reports the development of a detailed chemical kinetic model for hydrogen oxidation in supercritical H2O/CO2 mixtures based on an existing gas-phase model. Revisions were made to thermodynamic properties and elementary reactions to account for the supercritical conditions. The effect of supercritical water (SCW) on selected elementary reactions was taken into consideration. The model for SCW oxidation of hydrogen was evaluated against experimental data in the literature. The model was able to reproduce satisfactorily the experimental results. The observed discrepancies were largely attributed to experimental artifacts, mainly deviation from an ideal plug flow. Key elementary reactions were identified by sensitivity analysis, and details of the oxidation mechanism were inferred by analyzing reaction paths. Finally, effects of the pressure and CO2 concentration on the model predictions were discussed.
引用
收藏
页码：15379 / 15388
页数：10
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