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arXiv 2103.08377physics.chem-phstat.ML
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甲烷/空气燃烧的机器学习高度简化动力学模型

Toward Machine Learned Highly Reduce Kinetic Models For Methane/Air Combustion

Mark Kelly, Gilles Bourque, Stephen Dooley

摘要:

准确的低维甲烷化学动力学模型是高效燃气轮机燃烧室设计的重要组成部分。与物理实验相比,与计算流体动力学(CFD)耦合的动力学模型提供了快速有效的方法来测试操作条件、燃料成分和燃烧室设计的影响。然而,详细的化学动力学模型在计算流体动力学中的使用是太昂贵的计算。我们提出了一种新的面向数据的三步方法,以产生紧凑的模型,复制一组目标的详细模型属性,以高保真度。在第一步中,通过使用路径通量分析(PFA)从包含118种物质的详细模型中去除所有非必需物质,获得简化的动力学模型。然后进行数值优化,以复制详细的模型的预测在两个回合;第一,选择的物种(OH,H,CO和CH 4)的配置文件在完全搅拌反应器(PSR)模拟,然后重新优化的详细模型的预测层流火焰速度。这是通过专门开发的机器学习优化化学动力学(MPEG4)算法来实现的。系统扰动所有三个选定的反应的Arrhenius参数和评估的新参数的适用性,通过一个客观的误差函数,量化的紧凑型模型的计算的优化目标的错误。该策略通过生产19种和15种甲烷/空气燃烧的紧凑模型来证明。这两个紧凑的模型在一系列的0 D和1D计算在贫和富条件下进行了验证,并显示出良好的协议,父详细的机制。15种模型的表现优于目前最先进的模型在准确性和范围的条件下,该模型是有效的。

英文摘要:

Accurate low dimension chemical kinetic models for methane are an essential component in the design of efficient gas turbine combustors. Kinetic models coupled to computational fluid dynamics (CFD) provide quick and efficient ways to test the effect of operating conditions, fuel composition and combustor design compared to physical experiments. However, detailed chemical kinetic models are too computationally expensive for use in CFD. We propose a novel data orientated three-step methodology to produce compact models that replicate a target set of detailed model properties to a high fidelity. In the first step, a reduced kinetic model is obtained by removing all non-essential species from the detailed model containing 118 species using path flux analysis (PFA). It is then numerically optimised to replicate the detailed model's prediction in two rounds; First, to selected species (OH,H,CO and CH4) profiles in perfectly stirred reactor (PSR) simulations and then re-optimised to the detailed model's prediction of the laminar flame speed. This is implemented by a purposely developed Machine Learned Optimisation of Chemical Kinetics (MLOCK) algorithm. The MLOCK algorithm systematically perturbs all three Arrhenius parameters for selected reactions and assesses the suitability of the new parameters through an objective error function which quantifies the error in the compact model's calculation of the optimisation target. This strategy is demonstrated through the production of a 19 species and a 15 species compact model for methane/air combustion. Both compact models are validated across a range of 0D and 1D calculations across both lean and rich conditions and shows good agreement to the parent detailed mechanism. The 15 species model is shown to outperform the current state-of-art models in both accuracy and range of conditions the model is valid over.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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