基于遗传算法的甲烷/二甲醚详细机理简化

doi:10.19286/j.cnki.cci.2021.09.045

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摘要借助遗传算法，对甲烷/二甲醚化学反应机理进行简化，在确保计算精度的同时，能够有效地提高计算速度、节约计算成本。选取了24个目标工况指导均质点火计算，以点火延迟时间及稳态温度作为指导遗传算法的优化指标，保证最终的简化机理能够全面、可靠地描述甲烷/二甲醚混合燃料的燃烧特性。简化机理由45种组分119步反应构成，其点火延迟时间相对于原始机理最大误差≤4.5%。利用激波管及层流火焰的测量数据也验证了简化机理的有效性。与此同时，在甲烷/二甲醚高压湍流燃烧数值计算中，简化后的机理在温度场、自由基、终产物的变化趋势及数值大小与详细机理保持了较好的一致性，并降低了近30%的计算时间。该简化机理实现了计算精度与计算成本之间的良好平衡，为大规模批量燃烧数值模拟提供了便利。

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	孙国军
	付忠广
	卢茂奇
	袁兴坤

关键词 ：二甲醚, 反应动力学, 遗传算法, 化学机理简化, 数值模拟

Abstract：The mechanism of methane/dimethyl ether chemical reaction was reduced by genetic algorithm, which could effectively enhance the calculation speed and decrease the calculation cost meanwhile ensuring the calculation accuracy. Twenty-four target conditions were selected to guide the homogeneous ignition calculation, and the ignition delay time and steady-state temperature were used as the optimization indexes to guide the genetic algorithm to ensure that the final simplified mechanism can comprehensively and reliably describe the combustion characteristics of the methane/dimethyl ether fuel mixture. The simplified mechanism consists of 45 species and 119 reaction steps, and its ignition delay time has a maximum error of no more than 4.5% with respect to the original mechanism. The validity of the simplified mechanism was also verified by the measured data using surge tubes and laminar flow flames. Meanwhile, in the methane/dimethyl ether high-pressure turbulent combustion numerical calculation, the simplified mechanism maintains good agreement with the detailed mechanism in terms of temperature field, free radicals, end product trends and numerical magnitude, while reducing the computation time by nearly 30%. The simplified mechanism achieves a good balance between computational accuracy and computational cost, and facilitates numerical simulation of large-scale batch combustion.

Key words： dimethyl ether reaction kinetics genetic algorithm chemical mechanism simplification numerical simulation

基金资助:北京市自然科学基金项目（NO.3162030）

作者简介: 孙国军（ 1997— ），男，黑龙江牡丹江人，在读硕士研究生。

引用本文:

孙国军，付忠广，卢茂奇，袁兴坤. 基于遗传算法的甲烷/二甲醚详细机理简化[J]. 煤炭与化工, 2021, 44(9): 147- 154.. Sun Guojun， Fu Zhongguang， Lu Maoqi， Yuan Xingkun. Reduction of methane/dimethyl ether combustion kinetic mechanism based on genetic algorithm. CCI, 2021, 44(9): 147- 154..

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http://www.mtyhg.com.cn/CN/10.19286/j.cnki.cci.2021.09.045 或 http://www.mtyhg.com.cn/CN/Y2021/V44/I9/147

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