首页> 外文期刊>International journal of energetic materials and chemical propulsion >COMPUTATIONALLY BASED DEVELOPMENT OF CHEMICAL KINETICS MECHANISMS FOR MODELING THE COMBUSTION CHAMBER DYNAMICS OF ROCKET PROPULSION SYSTEMS
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COMPUTATIONALLY BASED DEVELOPMENT OF CHEMICAL KINETICS MECHANISMS FOR MODELING THE COMBUSTION CHAMBER DYNAMICS OF ROCKET PROPULSION SYSTEMS

机译:基于计算的火箭推进系统燃烧室动力学模型动力学机理的开发

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摘要

The U.S. Army Research Laboratory is developing finite-rate, gas-phase chemical kinetics mechanisms for use in modeling the combustion chamber dynamics of novel rocket propulsion systems. For propellant systems whose combustion chemistry has not been previously investigated at a fundamental level, postulated reaction paths are simulated with quantum chemistry methods, and predictions for individual paths are converted to kinetic rate expressions using transition state theory. Rate expressions for individual reactions are then assembled to yield detailed mechanisms whose reasonableness for specific applications are evaluated by employing them to model relevant measured data. Detailed mechanisms then serve as the basis for deriving reaction sets that can be employed as submodels in computational fluid dynamics codes. This approach has been successfully employed to develop submodels for a number of hypergolic (liquid) bipropellant combinations and a (liquid-solid) hybrid system. It is also being employed to develop submodels for (solid) minimum-smoke propellant formulations. This paper discusses the application, efficacy, and benefits of the approach through the presentation of some representative examples.
机译:美国陆军研究实验室正在开发有限速率的气相化学动力学机制,用于对新型火箭推进系统的燃烧室动力学进行建模。对于先前尚未在基础水平上研究其燃烧化学的推进剂系统,使用量子化学方法模拟了假定的反应路径,并使用过渡态理论将各个路径的预测转换为动力学速率表达式。然后组装各个反应的速率表达式,以产生详细的机理,通过使用它们对相关的测量数据进行建模,可以评估其特定应用的合理性。然后,详细的机制用作导出反应集的基础,该反应集可以用作计算流体动力学代码中的子模型。该方法已成功地用于开发许多超高(液体)双推进剂组合和(液-固)混合系统的子模型。它也被用于开发(固体)最小烟雾推进剂配方的子模型。本文通过介绍一些具有代表性的示例来讨论该方法的应用,功效和好处。

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