国产航油RP-3结焦积碳机理构建和实验验证

The correct construction of generation mechanism for carbon deposition and surface coking during the pyrolysis or combustion processes of hydrocarbon fuel at the conditions of high temperature and high pressure, is the key foundation to solve the core scientific problem of combustion reaction dynamics in wide range conditions. The research on this topic is still in its infancy at home. The contents of this research include: establishing the variation tendency of the soot precursor, carbon particles and surface coking rate against the temperature and pressure based on the electric heated tube experiment under the benchmark state; constructing the reaction mechanism for the soot precursors and the related thermodynamic and kinetic data at the level of elementary reaction; developing the reaction pathway from the soot to the carbon particle with the section method and coarse-grained treatment; establishing the global reaction mechanism for the surface coking with the aid of the experimental results; carrying out the dynamical simulation for the pyrolysis of domestic aviation kerosene under high temperature and pressure with the multicomponent surrogate model. In the end, with the synthetical application of the methods including the chemical experiment of the fuel, computational chemistry and dynamical simulation, we will establish the whole reaction mechanism including pyrolysis, coking and carbon deposition generation, which is suitable for domestic aviation fuel of RP-3 and has the independent intellectual property right. Finally, this work can provide theoretical support for coking inhibition solution in the design of the engine and improve our innovation ability in the aspect of solving the key and fundamental problems of aerospace engine.

碳氢燃料高温高压裂解或燃烧过程中，结焦积碳生成机理的正确构建是解决面向发动机的宽范围燃烧反应动力学核心科学问题的必要条件之一，国内在此方面的研究仍处于初步阶段。本项目的研究内容包括：开展高温高压电加热管实验，在基准态条件下研究积碳前驱体、积碳颗粒和表面结焦速率随温度和压力的变化规律；在基元反应水平上，构建积碳前驱体的生成机理和相应的热、动力学数据；基于分段法的粗粒化处理，构建碳烟微粒到大粒径积碳颗粒的生成途径；基于表面结焦速率的实验结果，构建表面结焦的总包反应机理；采用多组分替代模型，开展国产航油高温高压裂解条件下的动力学模拟研究。最终，通过燃料化学实验、计算化学和动力学模拟等方法的综合应用，建立一套适用于国产航油RP-3模拟的具有自主知识产权的裂解结焦积碳综合机理，为发动机设计中的结焦抑制方案提供理论支撑，提升我国在航空航天发动机关键基础问题解决方面的创新能力。

碳氢燃料高温高压裂解或燃烧过程中，结焦积碳生成机理的正确构建是解决面向发动机的宽范围燃烧反应动力学核心科学问题的必要条件之一，国内在此方面的研究仍处于初步阶段。本项目的研究成果主要包括：1.在基元反应水平上，构建了积碳前驱体的生成机理和相应的热、动力学数据，并基于分段法的粗粒化处理，构建了某型燃料高温裂解结焦的详细机理；2. 针对传统高温高压电加热管试验中高温裂解产物后续反应严重影响机理构建准确性的问题，建立了高温燃料急速冷却和间接在线取样的方法和装置，构建了正癸烷的高温宽温度范围适用的一步裂解反应机理，验证了该方法的有效性、可靠性和可重复性；3. 基于等电流变管长电加热管实验和高温燃料急速冷却方法，构建了国产航油RP-3低转化率的一步反应总包机理和高转化率条件下结焦积碳的两步总包机理并开展了动力学模拟验证。最终，通过燃料化学实验、计算化学和动力学模拟等方法的综合应用，建立一套适用于国产航油RP-3模拟的具有自主知识产权的裂解结焦积碳综合机理，为发动机设计中的结焦抑制方案提供理论支撑，提升了我国在航空航天发动机关键基础问题解决方面的创新能力。