甲醇-空气层流火焰速度的数值研究和预测模型

杨协和; 沈文锋; 张扬; 张海; 张建胜; 吕俊复

doi:10.11949/0438-1157.20181496

您当前的位置：

首页 >

文章列表页 >

甲醇-空气层流火焰速度的数值研究和预测模型

更新时间：2026-07-24

- 甲醇-空气层流火焰速度的数值研究和预测模型
- Numerical investigation and prediction models for methanol-air laminar flame speed
- 化工学报 2019年70卷第8期页码：3011-3020
- 作者机构：
  
  清华大学能源与动力工程系,热科学与动力工程教育部重点实验室，北京 100084
- 作者简介：
  
  杨协和(1994—)，男，博士研究生，yangxh17@mails.tsinghua.edu.cn
  张扬(1986—)，男，博士，助理研究员，yang-zhang@tsinghua.edu.cn
- 基金信息：
  
  国家自然科学基金项目(51706119)
- DOI：10.11949/0438-1157.20181496
  中图分类号： TK 16
- 收稿：2018-12-01，
  
  修回：2019-02-03，
  
  网络首发：2026-07-24，
  
  纸质出版：2019-08-05
- 稿件说明：
移动端阅览
杨协和, 沈文锋, 张扬, 张海, 张建胜, 吕俊复. 甲醇-空气层流火焰速度的数值研究和预测模型[J]. 化工学报, 2019, 70(8): 3011-3020

YANG Xiehe, SHEN Wenfeng, ZHANG Yang, ZHANG Hai, ZHANG Jiansheng, LYU Junfu. Numerical investigation and prediction models for methanol-air laminar flame speed[J]. CIESC Journal, 2019, 70(8): 3011-3020
杨协和, 沈文锋, 张扬, 张海, 张建胜, 吕俊复. 甲醇-空气层流火焰速度的数值研究和预测模型[J]. 化工学报, 2019, 70(8): 3011-3020 DOI： 10.11949/0438-1157.20181496.

YANG Xiehe, SHEN Wenfeng, ZHANG Yang, ZHANG Hai, ZHANG Jiansheng, LYU Junfu. Numerical investigation and prediction models for methanol-air laminar flame speed[J]. CIESC Journal, 2019, 70(8): 3011-3020 DOI： 10.11949/0438-1157.20181496.

摘要

收集总结分析了现有的甲醇层流火焰速度的实验数据，比较了三种典型的描述甲醇氧化的详细化学反应机理(Li机理、USC Mech-Ⅱ和Burke机理)对层流火焰传播速度的预测精度。结果表明三种机理均能定性反映甲醇层流火焰速度的变化规律，但在富燃料侧，机理计算值明显高于实验结果。反应动力学分析表明甲醇脱氢反应对层流火焰速度的影响至关重要。根据文献中的最新成果，修正了Li机理中甲醇脱氢反应的速率常数，提高了Li机理对甲醇-空气层流火焰速度的预测精度。针对工程需求，给出了两个甲醇层流火焰速度的快速预测模型，经过校核，所提出的预测模型能够较为准确地预测不同初始温度和压力下甲醇层流火焰速度。

Abstract

The experimental data of the existing laminar flame velocity of methanol were collected and analyzed. The three typical chemical reaction mechanisms describing the oxidation of methanol (Li mechanism

USC Mech-Ⅱ and Burke mechanism) were compared to predict the propagation velocity of laminar flame. Laminar flame speed is an intrinsic property of a combustible mixture. In the present study

the validities and accuracies of three different chemical kinetic models (including Li scheme

USC Mech Ⅱ scheme and Burke scheme) on their predictions of laminar methanol-air flame speed were verified using newly-reported experimental data in the literature. The results show that the tested three kinetic schemes were able to qualitatively characterize the variation of the laminar flame speed of methanol-air mixtures. However

quantitatively

remarkable over-predictions were found between the computed laminar flame speed and experimental ones of fuel-rich mixtures. Consequently

reaction sensitivity analysis and reaction rate analysis were conducted in order to figure out the reason for the discrepancy. As per the kinetic analysis

the H-abstraction of methanol was found to be of great importance to the laminar flame speed. Consequently

the H-abstraction in Li scheme was updated using the newly-reported data

and the predictions of laminar flame speed using the modified Li scheme were greatly improved

especially on the fuel-rich side. In the engineering calculation

a quick estimation of the laminar flame speed with an acceptable accuracy is desired. Motivated by this demand

two empirical prediction correlations for methanol-air laminar flame speed were proposed. The predictions using the two correlations were in good agreement with the reported experimental data at different initial mixture temperatures and pressures. The calculation of the laminar flame speed of methanol-air mixtures using the proposed correlations is much faster than detailed modeling using full kinetic model so that it will save a large amount of computation resources in the engineering calculation.

关键词

Keywords

references

朱杰 , 崔宇 , 陈元君 , 等 . 甲醇制烯烃过程研究进展 [J ] . 化工学报 , 2010 , 61 ( 7 ): 1674 - 1684 .

Zhu J , Cui Y , Chen Y J , et al . Recent researches on process from methanol to olefins [J ] . CIESC Journal , 2010 , 61 ( 7 ): 1674 - 1684 .

吴文章 , 郭文瑶 , 肖文德 , 等 . 甲醇与C 4 ~C 6 烯烃共反应制丙烯副产物生成途径 [J ] . 化工学报 , 2012 , 61 ( 2 ): 493 - 499 .

Wu W Z , Guo W Y , Xiao W D , et al . Reaction path for formation of by-products in co-reaction of methanol and C 4 —C 6 alkenes to propylene [J ] . CIESC Journal , 2012 , 63 ( 2 ): 493 - 499 .

Tao Y J , Smith G P , Wang H . Critical kinetics uncertainties in modeling hydrogen/carbon monoxide, methane, methanol, formaldehyde, and ethylene combustion [J ] . Combustion and Flame , 2018 , 195 : 18 - 29 .

Gibbs G J , Calcote H F . Effect of molecular structure on burning velocity [J ] . Journal of Chemical and Engineering Data , 1959 , 4 ( 3 ): 226 - 237 .

Metghal C M , Keck J C . Burning velocities of mixtures of air with methanol, isooctane, and indolene at high pressure and temperature [J ] . Combustion and Flame , 1982 , 48 : 191 - 210 .

Gülder Ö L . Laminar burning velocities of methanol, ethanol and isooctane-air mixtures [J ] . Symposium (International) on Combustion , 1982 , 19 ( 1 ): 275 - 281 .

Saeed K , Stone C R . Measurements of the laminar burning velocity for mixtures of methanol and air from a constant-volume vessel using a multizone model [J ] . Combustion and Flame , 2004 , 139 ( 1 ): 152 - 166 .

Zhang Z , Huang Z , Wang X , et al . Measurements of laminar burning velocities and Markstein lengths for methanol–air–nitrogen mixtures at elevated pressures and temperatures [J ] . Combustion and Flame , 2008 , 155 ( 3 ): 358 - 368 .

Beeckmann J , Cail L , Pitsch H . Experimental investigation of the laminar burning velocities of methanol, ethanol, n -propanol, and n -butanol at high pressure [J ] . Fuel , 2014 , 117 : 340 - 350 .

Vancoillie J , Christensen M , Nilsson E J K , et al . Temperature dependence of the laminar burning velocity of methanol flames [J ] . Energy & Fuels , 2012 , 26 ( 3 ): 1557 - 1564 .

Sileghem L , Alekseev V A , Vancoillie J , et al . Laminar burning velocities of primary reference fuels and simple alcohols [J ] . Fuel , 2014 , 115 : 32 - 40 .

Egolfopoulos F N , Du D X , Law C K . A comprehensive study of methanol kinetics in freely-propagating and burner-stabilized flames, flow and static reactors, and shock tubes [J ] . Combustion Science and Technology , 1992 , 83 ( 1 / 2 / 3 ): 33 - 75 .

Veloo P S , Wang Y L , Egolfopoulos F N , et al . A comparative experimental and computational study of methanol, ethanol, and n -butanol flames [J ] . Combustion and Flame , 2010 , 157 ( 10 ): 1989 - 2004 .

Westbrook C K , Dryer F L . Comprehensive mechanism for methanol oxidation [J ] . Combustion Science and Technology , 1979 , 20 ( 3 / 4 ): 125 - 140 .

Bradley D , Dixon L G , Habik S E D , et al . Laminar flame structure and burning velocities of premixed methanol-air [J ] . Combustion and Flame , 1991 , 85 ( 1 ): 105 - 120 .

Held T J , Dryer F L . A comprehensive mechanism for methanol oxidation [J ] . International Journal of Chemical Kinetics , 1998 , 30 ( 11 ): 805 - 830 .

Li J , Zhao Z , Kazakov A , et al . A comprehensive kinetic mechanism for CO, CH 2 O, and CH 3 OH combustion [J ] . International Journal of Chemical Kinetics , 2007 , 39 ( 3 ): 109 - 136 .

Burke U , Metcalfe W K , Burke S M , et al . A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation [J ] . Combustion and Flame , 2016 , 165 : 125 - 136 .

Wang H , You X Q , Joshi A V , et al . USC Mech version Ⅱ . High-temperature combustion reaction model of H 2/CO/C 1 -C 4 compounds [EB/OL ] . [2007- 5 ] . http://ignis.usc.edu/USC_Mech_II.htm http://ignis.usc.edu/USC_Mech_II.htm .

Kee J , Grcar K , Smooke M D , et al . Premix: a Fortran program for modelling steady laminar one-dimensional premixed flames [R ] . Livermore, CA : SANDIA National Laboratories, SAND85-8240 , 1985 .

Egolfopoulos F N . Geometric and radiation effects on steady and unsteady strained laminar flames [J ] . Proceedings of the Combustion Institute , 1994 , 25 ( 1 ): 1375 - 1381 .

Kee R J , Ruply F M , Miller J A . Chemkin-Ⅱ: a Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics [R ] . Livermore, CA . Sandia National Laboratories, Report SAND89-8009 , 1989 .

Kee R J , Dixon L G , Warnatz J , et al . A Fortran computer code package for the evaluation of gas-phase multicomponent transport properties [R ] . Sandia National Laboratories Report SAND86-8246 , 1986 .

Eduardo F T , Mario S S , Antonio L S , et al . A multipurpose reduced chemical-kinetic mechanism for methanol combustion [J ] . Combustion Theory and Modelling , 2016 , 20 ( 4 ): 613 - 631 .

Law C K . Combustion Physics [M ] . New York : Cambridge University Press , 2006 : 14 - 16 .

Meana P R , Xu X F , Ma H , et al . Computational kinetics by variational transition-state theory with semiclassical multidimensional tunneling: direct dynamics rate constants for the abstraction of H from CH 3 OH by Triplet oxygen atoms [J ] . The Journal of Physical Chemistry A , 2017 , 121 ( 8 ): 1693 - 1707 .

Gao L G , Zheng J , Fernandez R A , et al . Kinetics of the methanol reaction with OH at interstellar, atmospheric, and combustion temperatures [J ] . J. Am . Chem. Soc ., 2018 , 140 ( 8 ): 2906 - 2918 .

Xu S , Lin M C . Theoretical study on the kinetics for OH reactions with CH 3 OH and C 2 H 5 OH [J ] . Proceedings of the Combustion Institute , 2007 , 31 ( 1 ): 159 - 166 .

Meana P R , Truhlar D G , FernÁndez R A . High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen [J ] . The Journal of Chemical Physics , 2011 , 134 ( 9 ): 094302 .

Müller U C , Bollig M , Peters N . Approximations for burning velocities and Markstein numbers for lean hydrocarbon and methanol flames [J ] . Combustion and Flame , 1997 , 108 ( 3 ): 349 - 356 .

浏览量

下载量

CSCD

文章被引用时，请邮件提醒。

提交

工具集

关联资源

原油一步法催化裂解制低碳烯烃：实验和反应路径研究

氨甲环酸异构化过程的反应动力学研究

甲醇模块化生产中分时储热系统的优化设计

基于改进状态转移算法的串级平推流反应器动力学参数估计

神华上湾煤恒温阶段直接液化反应动力学