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Laminar burning velocity of hydrogen and flame structure of related fuels for detailed kinetic model validation

Alekseev, Vladimir LU (2015)
Abstract (Swedish)
Popular Abstract in English

The word “combustion” describes a number of physical and chemical processes, whose common characteristic is an interaction between fuel and oxygen and their subsequent transformation into products, such as CO2 and water. Even though the process is often described as a single chemical reaction between fuel and oxygen, in reality, their chemical transformation requires many intermediate stages and involves many reactions. The simplest combustion system is hydrogen + oxygen (H2 + O2), which can be described with 8 species and about 20 elementary reactions. The smallest hydrocarbon fuel, methane, requires at least 35 species and 170 reactions. If all the species and reactions are defined, the... (More)
Popular Abstract in English

The word “combustion” describes a number of physical and chemical processes, whose common characteristic is an interaction between fuel and oxygen and their subsequent transformation into products, such as CO2 and water. Even though the process is often described as a single chemical reaction between fuel and oxygen, in reality, their chemical transformation requires many intermediate stages and involves many reactions. The simplest combustion system is hydrogen + oxygen (H2 + O2), which can be described with 8 species and about 20 elementary reactions. The smallest hydrocarbon fuel, methane, requires at least 35 species and 170 reactions. If all the species and reactions are defined, the combustion process can be formulated in a mathematical model. Such simulations have become widely used since they can provide a deeper understanding of the underlying processes, which might not be accessible in experiments. However, even the simplest system of hydrogen + oxygen is still not completely characterized under all conditions. Further development of our understanding becomes even more important since at the moment hydrogen combustion is receiving increased attention in industry due to reduced pollutant formation if hydrogen is used as a fuel.



One of the most important parameters of a combustible mixture is the laminar burning velocity, which describes how fast the flame can propagate in space. It is important from both practical and fundamental points of view. Knowledge of the laminar burning velocity is required in the design and development of combustion devices, such as internal combustion engines or gas turbines. In addition, the laminar burning velocity is a parameter that is used to develop combustion models and/or judge their performance. Flame structure, i.e. the distribution of species inside the flame, can also serve this objective.



Due to a constant improvement in combustion models, there is an increasing need to provide accurate experimental values of the laminar burning velocities. It is defined theoretically as the speed of an infinitely large freely propagating planar flame. Such conditions can not be reproduced in the laboratory, therefore, the accuracy of the measurements is determined not only by the quality of experimental equipment, it also depends on whether the laboratory system is close enough to these ideal theoretical conditions. A part of the work reported in this thesis concerns the accuracy of the heat flux method, which is one of the three widely used methods for burning velocity measurement. As a result of the present work, some of the practical issues that can lead to inaccurate values of the burning velocity were identified and recommendations were made with the aim of improving the accuracy of the method.



A major part of this thesis concerns the laminar burning velocity of hydrogen flames and how it changes with increasing temperature of the initial combustible mixture. This was analyzed both experimentally and using combustion models. In some cases, hydrogen flames can lose stability, i.e. they start to form irregular structures, or cells. When this occurs, the experimental procedure for determination of the burning velocity has to be modified. The approach applied in this thesis made it possible to perform measurements in such unstable flames without losing the accuracy. As for the temperature dependence of the burning velocity, it has a complex behavior, which is often disregarded in engineering applications. In the present work, this behavior was discussed and analyzed.



The last part of the thesis is related to the flame structure of fuels relevant to hydrogen energy, ammonia (NH3) and methane (CH4). Such fuels are often referred to as hydrogen carriers, i.e. they can be stored, transported and later converted to H2. This procedure can be advantageous due to the explosive nature of hydrogen. In this thesis, CH4 systems were studied under conditions relevant to hydrogen production, for which the combustion models are still underdeveloped. On the other hand, ammonia is a simple fuel which does not contain carbon, so the aim of the ammonia project was therefore to study fundamental nitrogen chemistry. Several existing combustion models were applied to simulate the structure of ammonia and methane flames, with the aim to find out how these models can be developed in the future. (Less)
Abstract
The laminar burning velocity and the flame structure are common targets for combustion studies aimed at detailed kinetic

model development. In the present work, fuels relevant to hydrogen combustion were considered.



The laminar burning velocity of rich and lean hydrogen flames was studied experimentally and numerically, including its

pressure dependence in rich mixtures and temperature dependence in lean mixtures. An updated version of the Konnov

detailed reaction mechanism for H2 combustion was validated, and after that it was applied to simulate the results obtained in

experiments. The laminar burning velocities of rich H2 + air mixtures were determined from spherical flame... (More)
The laminar burning velocity and the flame structure are common targets for combustion studies aimed at detailed kinetic

model development. In the present work, fuels relevant to hydrogen combustion were considered.



The laminar burning velocity of rich and lean hydrogen flames was studied experimentally and numerically, including its

pressure dependence in rich mixtures and temperature dependence in lean mixtures. An updated version of the Konnov

detailed reaction mechanism for H2 combustion was validated, and after that it was applied to simulate the results obtained in

experiments. The laminar burning velocities of rich H2 + air mixtures were determined from spherical flame propagation data

using three models for stretch correction available in the literature. The heat flux method was employed for the first time to

measure the laminar burning velocity of lean H2 + air mixtures and its temperature dependence. A modified procedure for

processing data from unstable cellular flames was suggested, and its accuracy was evaluated. The observed difference between

the literature results obtained in stretched flames and the values measured in the present work in flat flames was discussed. The

trends in the temperature dependence of the burning velocity of lean H2 + air mixtures, indicated by the modeling but not

supported by the majority of data determined from literature values, were confirmed experimentally in the present work.



An analysis of the experimental uncertainties of the heat flux method was performed. It was shown that some of the factors

which affect the accuracy of the measurements are related to the temperature dependence of the laminar burning velocity. A

method to evaluate asymmetric heat fluxes in the plate of the heat flux burner was proposed. The work reported in the present

study resulted in the necessity to re-evaluate some of the previously published data. Based on the available information from

literature, as well as on the results obtained in the present study, recommendations were made on how to control or reduce

several experimental uncertainties associated with the heat flux method.



The structure of NH3 and CH4 flames was investigated with the aim of further kinetic model development. Intracavity laser

absorption spectroscopy was applied to record HCO concentration profiles in rich low-pressure CH4 mixtures and predictions

of two widely used kinetic models were analyzed. Minor and major species concentrations in NH3 + air flames were used to

validate four contemporary H/N/O reaction schemes and investigate the performance of the best one. (Less)
Please use this url to cite or link to this publication:
author
supervisor
opponent
  • Professor Mounaïm-Rousselle, Christine, Laboratoire PRISME, Université d'Orléans, Orléans, France
organization
publishing date
type
Thesis
publication status
published
subject
keywords
hydrogen combustion, laminar burning velocity, ICLAS, temperature dependence, heat flux method, Fysicumarkivet A:2015:Alekseev
pages
246 pages
publisher
Tryckeriet i E-huset, Lunds universitet
defense location
Lecture hall Rydbergsalen, Department of Physics, Professorsgatan 1, Lund University, Faculty of Engineering
defense date
2015-11-27 14:00
ISSN
1102-8718
language
English
LU publication?
yes
id
b4ace958-45b3-4c60-b823-1f938f77bff7 (old id 8146878)
date added to LUP
2015-11-05 10:28:37
date last changed
2016-09-19 08:44:49
@phdthesis{b4ace958-45b3-4c60-b823-1f938f77bff7,
  abstract     = {The laminar burning velocity and the flame structure are common targets for combustion studies aimed at detailed kinetic<br/><br>
model development. In the present work, fuels relevant to hydrogen combustion were considered.<br/><br>
<br/><br>
The laminar burning velocity of rich and lean hydrogen flames was studied experimentally and numerically, including its<br/><br>
pressure dependence in rich mixtures and temperature dependence in lean mixtures. An updated version of the Konnov<br/><br>
detailed reaction mechanism for H2 combustion was validated, and after that it was applied to simulate the results obtained in<br/><br>
experiments. The laminar burning velocities of rich H2 + air mixtures were determined from spherical flame propagation data<br/><br>
using three models for stretch correction available in the literature. The heat flux method was employed for the first time to<br/><br>
measure the laminar burning velocity of lean H2 + air mixtures and its temperature dependence. A modified procedure for<br/><br>
processing data from unstable cellular flames was suggested, and its accuracy was evaluated. The observed difference between<br/><br>
the literature results obtained in stretched flames and the values measured in the present work in flat flames was discussed. The<br/><br>
trends in the temperature dependence of the burning velocity of lean H2 + air mixtures, indicated by the modeling but not<br/><br>
supported by the majority of data determined from literature values, were confirmed experimentally in the present work.<br/><br>
<br/><br>
An analysis of the experimental uncertainties of the heat flux method was performed. It was shown that some of the factors<br/><br>
which affect the accuracy of the measurements are related to the temperature dependence of the laminar burning velocity. A<br/><br>
method to evaluate asymmetric heat fluxes in the plate of the heat flux burner was proposed. The work reported in the present<br/><br>
study resulted in the necessity to re-evaluate some of the previously published data. Based on the available information from<br/><br>
literature, as well as on the results obtained in the present study, recommendations were made on how to control or reduce<br/><br>
several experimental uncertainties associated with the heat flux method.<br/><br>
<br/><br>
The structure of NH3 and CH4 flames was investigated with the aim of further kinetic model development. Intracavity laser<br/><br>
absorption spectroscopy was applied to record HCO concentration profiles in rich low-pressure CH4 mixtures and predictions<br/><br>
of two widely used kinetic models were analyzed. Minor and major species concentrations in NH3 + air flames were used to<br/><br>
validate four contemporary H/N/O reaction schemes and investigate the performance of the best one.},
  author       = {Alekseev, Vladimir},
  issn         = {1102-8718},
  keyword      = {hydrogen combustion,laminar burning velocity,ICLAS,temperature dependence,heat flux method,Fysicumarkivet A:2015:Alekseev},
  language     = {eng},
  pages        = {246},
  publisher    = {Tryckeriet i E-huset, Lunds universitet},
  school       = {Lund University},
  title        = {Laminar burning velocity of hydrogen and flame structure of related fuels for detailed kinetic model validation},
  year         = {2015},
}