The behavior and structure of laminar hydrocarbon flames which propagate parallel to the direction of a periodic gradient of mixture composition was studied both experimentally, using a specially designed burner, and computationally, using a planar numerical model. The variations in local mixture composition led to the formation of wrinkled flames, the structure of which were dependent on both chemical and physical parameters of the particular flame configuration. A qualitative study using chemiluminescence imaging of stratified methane and propane flames was conducted to characterize their response to variations in overall mixture composition, strength and length scale of the stratification, and flow field velocity. A two-dimensional numerical study was performed to assess the abilities of reduced global kinetic models to predict the behavior of stratified flames in comparison to computations performed using detailed mechanisms. It was observed that the reduced kinetic models display a lower limit of stratification length scale, which is on the order of the laminar flame thickness, below which accurate prediction of flame behavior is no longer possible. Under these conditions, the computed flames were observed to undergo a deformation which was much larger than the wrinkling imposed by the compositional variation, and was unsteady in time. Further analysis of these deformed flames suggested that a potential cause of this behavior was a failure of the reduced kinetics to capture the increase in local reaction rate attributed to stratification, and the inability of the driving reactions to counterbalance the incoming mass flux of fuel led to destabilization of the flame front. A preliminary analysis of the local stretch rates of the wrinkled flames was also conducted, and it was observed that even with a uniform incoming flow field, variations in mixture composition were capable of stretching the flames. The stretch behavior observed was one of alternating flame stretch and flame compression, which reached very large magnitudes over short distances.

Flame speed data reported in most literature are acquired in conventional apparatus such as the spherical combusion bomb and counter flow burner, and are limited to atmospheric pressure and ambient or slightly elevated unburnt temperatures. As such, these data bear little relevance to internal combustion engines and gas turbines, which operate under typical pressures of 10-50 bar and unburnt temperature up to 900K or higher. These elevated temperatures and pressures not only modify dominant flame chemistry, but more importantly, they inevitably facilitate pre-ignition reactions and hence can change the upstream thermodynamic and chemical conditions of a regular hot flame leading to modified flame properties. This study focuses on how auto-ignition chemistry affects flame propagation, especially in the negative-temperature coefficient (NTC) regime, where dimethyl ether (DME), n-heptane and iso-octane are chosen for study as typical fuels exhibiting low temperature chemistry (LTC). The structure of this thesis consists of the introduction of the combustion, the governing equations in thermodynamics and chemical reactions as well as the general structure of the flame. Then, the typicl experimental configuration exploited in the measurement of laminar flame speed is introduced, which is followed by the manifestation of the low temperature chemistry and the gap between the reality and the experimental understandings. Finally, the simulation results of laminar flame speed at constant pressure condition and HCCI engine condition are presented and discussed respectively. The computation of laminar flame speed of lean and stoichiometric mixtures of fuel/air was performed at different ignition reaction progress, by selecting the thermal chemical states corresponding to different residence times during auto-ignition as the flame upstream condition. Using scaling and budget analysis, it is shown that a well-defined flame speed for such a partially reactive mixture in the classical diffusion-reaction limit could still be feasible in the appropriate computational domain, especially with a sufficiently reduced induction length. The comparison of flame speed against different types of progress variables indicates a nearly linear relationship between the flame speed and progress variables based on the fuel mass fraction and temperature. The overall effect of the cool-flame reformation has been studied by comparing the flame speed of the initial mixture and that of the instantaneous mixture under the same thermodynamic conditions. It is found that the enhanced propagation is shown to be largely a thermodynamic effect, while chemistry nevertheless plays an overall retarding role. Sensitivity analysis has been performed to identify the key species which most influence flame propagation at different reaction progress. A general scheme of simplified mixture was constructed to describe flame propagation in a partially reactive mixture, for both lean and stoichiometric, as well as high pressures conditions. The findings and general simplified mixture scheme are validated in HCCI engine conditions.

Stratified combustion, combustion of fuel/air mixtures with temperature and/or mixture-composition stratification, is present in many combustion-related phenomena and applications such as forest wildfires, mining explosions, vessel ruptures, gas turbines, and reciprocating engines to name a few. A new generation of highly efficient internal combustion (IC) engines capable of satisfying stringent emission requirements, including modern direct-injection gasoline engines and gas turbines with lean premixed pre-vaporized (LPP) combustors, requires more comprehensive understanding and control of stratified combustion. Fundamentally, stratification of temperature or mixture composition affects a wide range of combustion characteristics such as flame speed, flammability, mode of combustion, instability, and others. This dissertation aims to identify, analyze and evaluate fundamental processes in the combustion of stratified mixtures, using theoretical analysis and advanced numerical simulation tools. ASURF-Parallel, a transient numerical solver of compressible reacting flow, is developed on the basis of the original A-SURF and exploited for stratified combustion simulations. A domain-decomposition parallelization scheme using Message Passing Interface (MPI) is developed and implemented in ASURF-Parallel to speed up the otherwise time-consuming numerical simulations. A significant speedup with the speed-up factor up to 10 is achieved on lab-scale servers. Effects of stratification on flame speeds, lean flammability limit, and modes of combustion are numerically investigated and studied. For flame speeds, laminar flame speeds of stratified flames propagating from rich mixtures to lean mixtures are generally faster than those of the corresponding homogeneous flames, primarily due to the preferential diffusion of lighter species and radicals such as H2, H and OH, i.e., the chemical effect. The degree of enhancement in flame speeds can be correlated to the degree of stratification, leading to the development of a transient local stratification level (LSL) model which is able to determine the stratified flame speeds incorporating both chemical effect and memory effect. For lean flammability limits, the extension introduced by stratification is very weak due to reduced overall reactivity and reduced degree of stratification. For modes of combustion, different modes can be realized by specific reactivity gradients, regardless of the sources of such gradients. Pressure waves introduced by ignition in a closed chamber can also lead to different modes of reaction front propagation and end-gas combustion. A transient reactivity gradient method is proposed to identify the onset of detonation.

Flame speed is a central metric in the field of combustion. While particular mixtures have characteristic flame speeds, it has also been shown that in compositionally stratified mixtures, flames exhibit a path dependency, or memory effect. The goal of the experimental work presented in this thesis was to investigate the behavior of flame speed over step changes in equivalence ratios. This sharp stratification was achieved using a soap bubble blown at the center of a combustion bomb. A laser was used to ignite the mixture from the center. Flame speed was calculated from both a pressure trace analysis and from measuring the movement of the flame front through high speed Schlieren imaging. Both methods demonstrated good correlation with the literature for homogeneous charges. However, the analysis necessarily assumes a spherical flame, but the Schlieren video showed that the laser ignition system induced a significant protrusion in the flame front. This protrusion smooths the transition from the flame speed of the inner mixture to that of the outer. Therefore, it was demonstrated that this setup is not suitable for the measurement of flame speed transitional behavior over step-changes in equivalence ratio.

This volume collects the results of a workshop held at Aachen, West-Germany, Oct. 12 - Oct. 14, 1981. The purpose in bringing together scientists actively working in the field of numerical methods in flame propagation was two-fold: 1. To confront them with recent results obtained by large ac­ tivation-energy asymptotics and to check these numerically. 2. To compare different numerical codes and different trans­ port models for flat flame calculations with complex che­ mistry. Two test problems were formulated by the editors to meet these objectives. Test problem A was an unsteady propagating flat flame with one-step chemistry and Lewis number different from unity while test problem B was the steady, stoichiometric hy­ drogen-air flame with prescribed complex chemistry. The parti­ cipants were asked to solve one or both test problems and to present recent work of their own choice at the meeting. The results of the numerical calculations of test problem A are challenging just as much for scientists employing numerical me­ thods as for those devoted to large activation-energy asympto­ tics: Satisfactory agreement between the five different groups were obtained only for two out of six cases, those with Lewis number Le equal to one. The very strong oscillations that oc­ cur at Le = 2 and a nondimensional activation energy of 20 were accurately resolved only by one group. This case is par­ ticular interesting because the asymptotic theory so far pre­ dicts instability but not oscillations.