摘要
采用详细反应机理对正庚烷部分预混对冲层流火焰中苯环与乙炔的生成进行了模拟,反应机理包括108种组分的572个基元反应。通过数值计算分析了部分预混对冲火焰的结构和主要反应物、反应生成物(O2、n-C7H16、CO2、CO、H2、H2O)、中间产物(CH4、C2H4、C2H2、C3Hx)以及苯的浓度分布,计算结果与实验结果吻合良好,说明该机理可以用于正庚烷层流对冲火焰中产物的预报。采用灵敏度分析与反应流分析方法对结果进行了分析,得出了正庚烷层流火焰中从正庚烷到苯环在低温(≤1 300 K)和高温条件下的主要反应链。
Benzene and acetylene formation in n-heptane/air partially premixed counterflow flame was simulated using a detailed mechanism including 108 species and 572 elementary reactions. The flame structures and species concentration distributions were predicted numerically, with the species including the main reactants, main products （O2, n-C7H16, CO2, CO, H2, and H2O）, intermediate products （CH4, C2H4, C2H2, and C3Hx） , and benzene. The results agree well with experimental data to show that the model can be used to predict reaction products in {lames. The main reaction chains from n-heptane to benzene were predicted at both low （≤ 1300 K） and high temperatures using the sensitivity analysis and production rate analysis methods.
出处
《清华大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
2008年第5期904-908,共5页
Journal of Tsinghua University(Science and Technology)
基金
国家"九七三"重点基础研究项目(2002CB211602)
关键词
层流部分预混火焰
正庚烷
乙炔
苯
反应路径
laminar partially premixed flame
n-heptane
acetylene
benzene
reaction path
