数据驱动的原位燃烧动力学预测

O. Ogunbanwo, Kuy Hun Koh Yoo, M. Gerritsen, A. Kovscek
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摘要

本文提出了一种新的原位燃烧动力学模拟工作流程。在该方法中,根据等转换原理,将描述燃烧化学的动力电池实验数据制成表格和图表。表格中列出了用于预测原位燃烧过程中化学物质产生和消耗的反应速率。将这种不采用阿伦尼乌斯法表示动力学的新方法应用于一个合成实验和两个实际的动力学细胞实验。在每一种情况下,新方法都合理地捕获了反应物质在燃烧过程中所采取的反应途径。对实际情况的表列速率的数据密度灵敏度研究表明,只需要四个实验就可以充分捕捉到燃烧过程的动力学。然而,发现结果对所采取的时间步长很敏感。该方法预测了实验在不同温度条件下反应速率的关键变化,从而捕获了模拟燃烧管实验的燃烧前沿速度、温度分布和流体组成。数据的直接使用保证了反应速率随时间和温度的灵活性。此外,非阿伦尼乌斯动力学技术消除了对通常计算要求很高的描述性反应方案的需要,而是专注于任何时候发生的碳氧化物、油、水和热的整体变化。值得注意的是,较少的参数调整需要匹配实验室实验,因为实验室观察更容易执行。
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Data-Driven Prediction of In-Situ Combustion Dynamics
This paper presents a new workflow for the simulation of in-situ combustion (ISC) dynamics. In the proposed method, data from kinetic cell experiments, depicting the combustion chemistry, are tabulated and graphed based on the isoconversional principle. The tables hold the reaction rates used to predict the production and consumption of chemical species during in-situ combustion. This new method of representing kinetics without the Arrhenius method is applied on one synthetic and two real kinetic cell experiments. In each case, the new method reasonably captures the reaction pathways taken by the reacting species as the combustive process occurs. A data-density sensitivity study on the tabulated rates for the real case shows that only four experiments are required to capture adequately the kinetics of the combustion process. The results are, however, found to be sensitive to the size of the time step taken. The method predicts critical changes in the reaction rates as the experiment is exposed to different temperature conditions, thereby capturing the speed of the combustion front, temperature profile, and fluid compositions of a simulated combustion tube experiment. The direct use of the data ensures flexibility of the reaction rates with time and temperature. In addition, the non-Arrhenius kinetics technique eliminates the need for a descriptive reaction scheme that is typically computationally demanding, and instead focuses on the overall changes in the carbon oxides, oil, water and heat occurring at any time. Significantly, less tuning of parameters is required to match laboratory experiments because laboratory observations are easier to enforce.
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