正辛醇/正丁醚骨架机理的构建及验证

采用定向关联图误差传播敏感度分析法(DRGEPSA)、同分异构体合并和峰值浓度分析法对正丁醚和正辛醇的详细机理进行简化,并将简化后的正丁醚和正辛醇机理合并,获得了包含117个组分和601个基元反应的骨架机理.利用正丁醚和正辛醇详细机理的着火延迟、正丁醚层流火焰速度的试验数据和正辛醇在射流搅拌反应器(JSR)中组分摩尔浓度的试验数据对获得的骨架机理进行验证.最后分析了正丁醚和正辛醇燃料在低温及高温下的化学反应路径,结果表明:该骨架机理的着火延迟时间、层流火焰速度及JSR中组分摩尔浓度与试验数据和详细机理较吻合,可较好地重现正丁醚和正辛醇的燃烧特性.

Development and Validation of a Skeletal Mechanism for Di-n-Butyl Ether and n-Octanol

The detailed mechanisms of di-n-butyl ether(DBE)and n-octanol were reduced to obtain a skeletal mechanism for each fuel by using methods of the direct relation graph with error propagation and sensitivity analysis(DRGEPSA),and of isomer lumping and peak concentration analysis.The skeletal mechanisms of DBE and noctanol were then combined together to generate a final skeletal mechanism,in which 117 species and 601 reactions are included.The ignition delays of detailed mechanisms of DBE and n-octanol,the experimental data of laminar flame speeds of DBE,and the experimental data of species concentration in a jet stirred reactor(JSR)for noctanol were used to validate the skeletal mechanism.Finally,the reaction pathways of DBE and n-octanol at low and high temperatures were analyzed.The results show that the skeletal mechanism can well predict the ignition delay time,laminar flame speed and the species concentration in the JSR.