烷烃类燃料/空气预混气着火过程数值预测

理论分析烷烃类燃料，空气混合物热着火过程，并对IPIC－CFDII软件进行修改，使之适全合资料零维着火计算，程序采用了美国SANDIA国家实验室，NASA和BERKELEY大学热力学数据库中的相关参数以及大型化学反应动力学软件包CHEMKIN中相关的模型和子程序，运用开发的源码，以庚烷／空气预混气为例，采用庚烷氧化的最新化学反应动力学机理（包含290个基元反应，涉及57种组分），计算了其在不同点火温度，不同当量比和不同压力下的着火延迟时间，同时预测了火焰中反应物，主产物，自由基沈庆以及温度变化的时间进程，以具体说明该软件的应用效果。

Numerical Predictions of Premixed Alkane Fuel/air during Ignition Process

The ignition process of premixed alkane fuel/air is studied in this work. The IPIC CFD II software is modified and hereby it could be applied in zero dimensional numerical prediction of combustion. The thermodynamics databases released by Sandia National Lab. and NASA as well as University of California, Berkeley were included in the program; besides, some models of CHEMKIN were used. The new kinetic schemes used for C 7H 16 consist of 57 species in 290 reactions. Ignition delays for the premixed air fuel under different temperatures of ignition and different equivalence ratios as well as different pressures are disposed of and calculated by using the code. The variations of concentrations of reactants, main products and radicals as well as temperature variation are predicted as time goes on, in order to testify the code explicitly.