摘要
杂化化学方法是当前燃烧化学反应动力学建模新方法,尤其用于表征和预测多组分、复杂、真实液态燃料的基础燃烧化学特性.该建模方法主要特征之一是将实际多组分复杂燃料集总为一个“单分子燃料”(其化学式用燃料混合物的平均分子式表示),极大简化了模型规模并提高了预测精度.然而对该类“单分子燃料”热物性参数(包括焓、熵、热容等)的准确预估及其对模型预测精度的影响尚无研究.本文采用3种预估方法,即直接替代燃料法、修正替代法和化学官能团贡献法,获得了我国航空燃料RP-3“单分子燃料”热物性参数预估数据,并讨论燃料替代组分、平均分子式等对热物性参数预估的影响,进而考察了以上方法预估的物性参数对模型预测燃料宏观燃烧特性(点火延迟时间和层流火焰燃烧速率)的影响.
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.
作者
张鹏勃
沈位
李世龙
宋业城
陈东平
王昆
Zhang Pengbo;Shen Wei;Li Shilong;Song Yecheng;Chen Dongping;Wang Kun(State Key Laboratory of Engines,Tianjin University,Tianjin 300072,China;State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China)
出处
《燃烧科学与技术》
CAS
CSCD
北大核心
2024年第3期220-228,共9页
Journal of Combustion Science and Technology
基金
国家自然科学基金资助项目(52176124,21961122007).
关键词
杂化化学方法
热物性参数
RP-3
化学官能团贡献法
hybrid chemistry approach
thermochemical parameter
kerosene RP-3
group additivity method
