杂化化学方法 “单分子燃料” 热物性参数预估方法

Hybrid chemistry approach(HyChem)is a novel approach to modeling the combustion chemistry of real multi-component，liquid fuels. One of the main features of HyChem is the lumping of the complex fuel into a “single molecule fuel”，whose chemical formula is represented by the average molecular formula of the fuel mixture，to greatly simplify the model size and improve the prediction accuracy. The thermochemical parameters of the “single molecule fuel”，including enthalpy，entropy and heat capacity，have great impact on the prediction accuracy of HyChem models. In the present study，three methods，namely，direct surrogate method，modified surrogate method，and chemical functional group additivity method，were adopted to estimate the thermochemical properties of a China RP-3 “single molecule fuel”. The effects of fuel surrogate components and average molecular formula on the prediction of thermochemical properties were analyzed，and their influences on the global combustion characteristics，i.e.，ignition delay time and laminar flame speed，were compared.