汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型

引用本文: 郑东, 张云鹏, 钟北京. 汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型[J]. 物理化学学报, 2013, 29(06): 1154-1160. doi: 10.3866/PKU.WHXB201303201 shu

Citation: ZHENG Dong, ZHANG Yun-Peng, ZHONG Bei-Jing. Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion[J]. Acta Physico-Chimica Sinica, 2013, 29(06): 1154-1160. doi: 10.3866/PKU.WHXB201303201 shu

汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型

基金项目:
国家自然科学基金(51036004)资助项目 (51036004)

摘要:

提出了一个包含103组分和395个基元反应, 能够较好描述多组分汽油替代燃料多环芳烃(PAHs)生成的化学动力学机理模型. 计算结果与实验数据的对比表明, 该机理能够准确地计算乙烯、甲苯、正庚烷预混火焰和正庚烷部分预混对冲火焰中PAHs及其前驱物组分分布. 虽然本文机理目前还无法直接应用于汽油燃烧过程的PAHs多维数值模拟, 但与现有的汽油替代燃料PAHs机理相比, 本文提出的机理规模更小, 距离实际应用的目标更近.

关键词:

English

Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

1.
1 School of Aerospace, Tsinghua University, Beijing 100084, P. R. China;
2 National Energy Conservation Center Beijing 100045, P. R. China
Received Date: 29 November 2012
Available Online: 17 May 2013
Fund Project:
国家自然科学基金(51036004)资助项目

Abstract:

A chemical kinetic model consisting of 103 species and 395 elementary reactions has been developed. This kinetic model well describes the formation of polycyclic aromatic hydrocarbons (PAHs) for multi-component gasoline surrogate fuels. Model validation results showed that the predicted PAHs and aromatic precursors using this chemical mechanism were consistent with the experimental results in the premixed flame of ethylene, toluene, n-heptane, and the opposed flow flame of n-heptane. The mechanism is not yet applicable to multidimensional computational fluid dynamics simulations for PAH formation of gasoline combustion. However, compared with the existing kinetic model, the present kinetic model contains fewer species and reactions, so it is closer to the aim of a model for practical applications.

Key words:

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型

English

Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型

English

Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

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CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

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