正丁烷气相着火的骨架反应机理模型

doi:10.3969/j.issn.0438-1157.2014.10.021

化工学报 ›› 2014, Vol. 65 ›› Issue (10): 3899-3905.DOI: 10.3969/j.issn.0438-1157.2014.10.021

• 催化、动力学与反应器 • 上一篇下一篇

正丁烷气相着火的骨架反应机理模型

于亚薇, 钟北京

清华大学航天航空学院, 热科学与动力工程教育部重点实验室, 北京 100084

收稿日期:2014-01-24 修回日期:2014-04-10 出版日期:2014-10-05 发布日期:2014-10-05
通讯作者: 钟北京
基金资助:
国家自然科学基金项目（51276096）。

Skeletal reaction mechanism for n-butane auto-ignition

YU Yawei, ZHONG Beijing

Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, School of Aerospace, Tsinghua University, Beijing 100084, China)

Received:2014-01-24 Revised:2014-04-10 Online:2014-10-05 Published:2014-10-05
Supported by:
supported by the National Natural Science Foundation of China (51276096).

摘要/Abstract

摘要： 为了研究正丁烷催化着火过程中气相反应与表面反应的相互作用，需要建立一个能够与表面催化反应机理耦合且规模较小的正丁烷着火动力学机理模型。通过反应途径分析和灵敏度分析相结合的方法，构建了包含80个组分和378个基元反应的气相动力学机理。通过与详细机理进行对比，该简化机理在压力1 MPa、计量比1、初始温度700 K条件下燃料和氧气的消耗速率、温度以及主要产物（H₂O和CO₂）的分布等保持一致。同时，在较宽的压力（0.1、1、2、3 MPa）、计量比（0.5、1、2）和温度（650～1450 K）范围内与详细机理计算的着火延迟时间具有很好的一致性，体现了简化机理的准确性。

关键词: 正丁烷, 氧化, 动力学模型, 反应途径, 灵敏度分析, 简化机理, 着火延迟时间, 反应动力学

Abstract: A reduced chemical kinetic mechanism for oxidation of n-butane was built through reaction rate analysis. The mechanism consisted of 80 species and 378 reactions and emphasized ignition progress. The reduced mechanism was used to simulate the consumption of fuel and oxygen, distribution of temperature and main products at pressure of 1 MPa, stoichiometric ratio of 1, temperature of 700 K and showed good agreement on ignition delay times with the detailed one in a wide range of pressure (0.1, 1, 2, 3 MPa), stoichiometric ratio (0.5, 1, 2) and temperature (650-1450 K), which reflected the accuracy of the reduced mechanism.

Key words: n-butane, oxidation, kinetic modeling, reaction path, sensitivity analysis, reduced mechanism, ignition delay time, reaction kinetics

中图分类号:

O643.12

于亚薇, 钟北京. 正丁烷气相着火的骨架反应机理模型[J]. 化工学报, 2014, 65(10): 3899-3905.

YU Yawei, ZHONG Beijing. Skeletal reaction mechanism for n-butane auto-ignition[J]. CIESC Journal, 2014, 65(10): 3899-3905.

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正丁烷气相着火的骨架反应机理模型

Skeletal reaction mechanism for n-butane auto-ignition

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