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Assessment of a transient homogeneous reactor through in situ adaptive tabulation
arXiv - CS - Computational Engineering, Finance, and Science Pub Date : 2021-05-27 , DOI: arxiv-2106.00755
Americo Cunha Jr, Luis Fernando Figueira da Silva

The development of computational models for the numerical simulation of chemically reacting flows operating in the turbulent regime requires the solution of partial differential equations that represent the balance of mass, linear momentum, chemical species, and energy. The chemical reactions of the model may involve detailed reaction mechanisms for the description of the physicochemical phenomena. One of the biggest challenges is the stiffness of the numerical simulation of these models and the nonlinear nature of species rate of reaction. This work presents a study of in situ adaptive tabulation (ISAT) technique, focusing on the accuracy, efficiency, and memory usage in the simulation of homogeneous stirred reactor models using simple and complex reaction mechanisms. The combustion of carbon monoxide with oxygen and methane with air mixtures are considered, using detailed reaction mechanisms with 4 and 53 species, 3 and 325 reactions, respectively. The results of these simulations indicate that the developed implementation of ISAT technique has a absolute global error smaller than 1 %. Moreover, ISAT technique provides gains, in terms of computational time, of up to 80% when compared with the direct integration of the full chemical kinetics. However, in terms of memory usage the present implementation of ISAT technique is found to be excessively demanding.

中文翻译:

通过原位自适应表格评估瞬态均相反应堆

用于在湍流状态下运行的化学反应流的数值模拟的计算模型的开发需要求解代表质量、线性动量、化学物质和能量平衡的偏微分方程。模型的化学反应可能涉及用于描述物理化学现象的详细反应机制。最大的挑战之一是这些模型的数值模拟的刚度和物种反应速率的非线性特性。这项工作介绍了原位自适应制表 (ISAT) 技术的研究,重点是使用简单和复杂反应机制模拟均质搅拌反应器模型的准确性、效率和内存使用情况。考虑一氧化碳与氧气和甲烷与空气混合物的燃烧,分别使用具有 4 种和 53 种、3 种和 325 种反应的详细反应机制。这些模拟的结果表明,ISAT 技术的开发实现具有小于 1% 的绝对全局误差。此外,与完整化学动力学的直接集成相比,ISAT 技术在计算时间方面提供了高达 80% 的收益。然而,就内存使用而言,ISAT 技术的当前实现被发现要求过高。与完整化学动力学的直接集成相比,ISAT 技术在计算时间方面提供了高达 80% 的收益。然而,就内存使用而言,ISAT 技术的当前实现被发现要求过高。与完整化学动力学的直接集成相比,ISAT 技术在计算时间方面提供了高达 80% 的收益。然而,就内存使用而言,ISAT 技术的当前实现被发现要求过高。
更新日期:2021-06-03
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