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发动机相关条件下的甲烷-氢气-聚甲醛二甲醚简化机理的开发

Development of a Reduced Methane-Hydrogen-Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions.

作者信息

Zhou Weijian, Zhou Song, Xi Hongyuan, Shreka Majed, Zhang Zhao

机构信息

College of Power and Energy Engineering, Harbin Engineering University, Harbin 150001, China.

出版信息

ACS Omega. 2021 Nov 18;6(47):31499-31512. doi: 10.1021/acsomega.1c03763. eCollection 2021 Nov 30.

DOI:10.1021/acsomega.1c03763
PMID:34869976
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8637598/
Abstract

Polyoxymethylene dimethyl ethers (PODE ) have a high cetane number and a high oxygen content, which can effectively reduce the soot emission. In this study, PODE, methane, and hydrogen were used as the characterization fuel. First, the detailed reaction mechanism of PODE and GRI-Mech 3.0 was reduced under engine-relevant conditions by using the reduced methods of the direct relation graph, the directed relation graph with error propagation, the sensitivity analysis, and the reaction pathway analysis. Then, the simplified PODE and methane-hydrogen mechanism were coupled and optimized. Finally, the simplified chemical kinetics mechanism of methane-hydrogen-PODE (67 species, 260 reactions) was developed. After that, the methane-hydrogen-PODE mechanism for methane/hydrogen/PODE blend combustion was established, and experimental verification was performed against ignition delay times, laminar flame speeds, and premixed flame species profiles, which showed a good agreement between the predicted and experimental data. Finally, the current mechanism was found to have high reliability and can be coupled to computational fluid dynamics.

摘要

聚甲醛二甲醚（PODE）具有高十六烷值和高含氧量，能有效降低碳烟排放。本研究中，PODE、甲烷和氢气被用作表征燃料。首先，通过直接关系图、带误差传播的直接关系图、灵敏度分析和反应路径分析等简化方法，在与发动机相关的条件下简化了PODE的详细反应机理和GRI-Mech 3.0。然后，对简化后的PODE与甲烷-氢气机理进行了耦合与优化。最后，建立了甲烷-氢气-PODE简化化学动力学机理（67种物质，260个反应）。在此之后，建立了用于甲烷/氢气/PODE混合燃烧的甲烷-氢气-PODE机理，并针对点火延迟时间、层流火焰速度和预混火焰物种分布进行了实验验证，结果表明预测数据与实验数据吻合良好。最后，发现当前机理具有较高的可靠性，可与计算流体动力学耦合。

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本文引用的文献

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Effects of methanol-containing additive on emission characteristics from a heavy-duty diesel engine.含甲醇添加剂对重型柴油机排放特性的影响。
Sci Total Environ. 2001 Nov 12;279(1-3):167-79. doi: 10.1016/s0048-9697(01)00764-1.