高等学校化学学报

高等学校化学学报

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基于极小反应网络方法构建燃烧反应机理：DEE燃料燃烧

杜宇凡1,石磊1,张文瀚1,夏文文2,姚丽1   

  1. 1. 上海海事大学商船学院 2. 大连海事大学理学院
  • 收稿日期:2025-04-21 修回日期:2025-06-17 网络首发:2025-06-19 发布日期:2025-06-19
  • 通讯作者: 姚丽 E-mail:yaoli@shmtu.edu.cn
  • 基金资助:
    国家科技重大专项项目(批准号: 91841301)资助

Combustion Mechanism Construction Based on Minimized Reaction Network: Combustion of DEE

DU Yufan1, SHI Lei1, ZHANG Wenhan1, XIA Wenwen2, YAO Li1   

  1. 1. Merchant Marine College, Shanghai Maritime Universit 2. Marine Engineering College, Dalian Maritime University

  • Received:2025-04-21 Revised:2025-06-17 Online First:2025-06-19 Published:2025-06-19
  • Contact: Li Yao E-mail:yaoli@shmtu.edu.cn
  • Supported by:
    Supported by the Major Research Plan of the National Natural Science Foundation of China(No. 91841301)

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摘要： 乙醚（C4H10O, DEE）是一种很有前途的含氧燃料，其十六烷值高达125，可以用于发动机和柴油机的冷启动，因此乙醚常被看作是一种潜在的柴油机替代燃料.乙醚的化学动力学起步较晚，且现有的乙醚燃烧反应机理大多是详细机理，包含的物种及反应数量十分庞大，无法满足实际工程需求.本文基于极小反应网络方法（MRN），在先前发展的C0-C2基础上增加了3个物种和7步反应，构建了包含32个物种和56步反应的乙醚燃烧机理（DEE-CKL）.该机理采用Arrhenius方程的双参数形式（A,E）描述反应的速率常数.最后利用Chemkin-Pro软件对构建的DEE-CKL机理的点火延迟时间与层流火焰速度进行模拟，并将模拟结果与现有实验结果作对比，结果表明构建的DEE-CKL机理能够很好地再现实验结果，证明了DEE-CKL机理的可靠性和实用性。

关键词: DEE, 燃烧反应机理, 极小反应网络, 化学平衡

Abstract: Diethyl ether (C4H10O, DEE) is a promising oxygenated fuel with a cetane number of up to 125 and can be used for cold starts in engines and diesel engines, so diethyl ether is often seen as a potential alternative fuel for diesel engines. The study of the chemical kinetics of diethyl ether started late, and most of the DEE Combustion reaction mechanisms found in literature are detailed mechanisms with a large number of species and reactions, making them difficult to use in high-dimensional numerical simulations. In this study, based on the minimized reaction network (MRN) method, 3 species and 7-step reactions were added to the previously developed C0-C2 to construct a diethyl ether combustion mechanism (DEE-CKL) with 32 species and 56 reactions. The two-parameter form of the Arrhenius equation (A, E) is used to describe the rate constant of the reaction. Finally, the ignition delay time and laminar flame speed of the constructed DEE-CKL mechanism were simulated using Chemkin-Pro software. The simulation results were compared with existing experimental results, and the comparison indicated that the constructed DEE-CKL mechanism could effectively reproduce the experimental results, demonstrating the reliability and practicality of the DEE-CKL mechanism.

Key words: Diethyl ether, combustion reaction mechanism, Minimized reaction network, Chemical equilibrium

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