层流预混庚烷火焰中PAHs的形成与机理的简化

本文使用详细的化学反应机理模拟了C7H16／空气层流预混火焰中多环芳烃的生成动力学过程．反应机理包括108种组分的572个基元反应．通过数值计算分析了层流预混火焰的结构和主要反应物、中间物质和反应产物的浓度变化,并对A1-A4组分的反应灵敏度进行了分析。并初步得到可以用于CFD的简化机理．     

层流拉伸非预混火焰影响因素的数值研究

采用简化机理(19个基元反应,14种组分)和半详细机理(79个基元反应,32种组分)对层流拉伸非预混火焰的结构进行了数值模拟,通过与实验数据的对比发现:在由当量混合的标量耗散率表征的火焰拉伸一定时,考虑不同分子扩散系数和不同的化学反应机理均对火焰面结构的准确模拟有着重要影响.此外计算了考虑热辐射时,随着当量混合的标量耗散率的改变而变化的每单位火焰面面积放热速率和燃烧场的最高温度,并分析了层流非预混火焰的熄火现象.     

火焰曲率对H_2扩散火焰NO排放影响的数值研究

使用不同的H_2/O_2化学反应机理和NO_x化学反应机理模拟了平面对冲火焰。通过和实验数据比较确定了最优的化学反应机理。使用该化学反应机理模拟了管形对冲火焰。通过对比平面拉伸火焰和管形拉伸火焰,突出了火焰曲率对H_2扩散火焰温度和NO排放的影响。分析显示正曲率提高火焰温度,负曲率降低火焰温度,由于NO生成对温度的敏感性,正曲率火焰的NO排放明显高于平面火焰,反之,负曲率火焰的NO排放大大低于平面火焰。     

高强度湍流预混火焰NO生成特性的研究

本文采用直接数值模拟方法对不同湍流强度下预混CH_4/H_2/air平面火焰进行了计算,并对湍流火焰中NO的生成规律进行了研究。采用了28组分268步反应的详细化学反应机理。研究表明高Karlovitz数下,湍流微团能穿透火焰面并存在于内反应区中。在强拉伸作用下,局部燃烧热释率达到层流火焰峰值的1.8倍。湍流作用下湍流燃烧速率显著提高,而NO的总生成速率增加不明显。高湍流强度下由于快速型NO的生成率的显著减小,湍流火焰中NO的总生成速率降低。     

湍流分层燃烧的直接数值模拟和小火焰模型研究

湍流分层燃烧广泛应用于工业燃烧装置,但是目前还比较缺乏适用于湍流分层燃烧的高精度数值模型。本文利用直接数值模拟数据库,对高Karlovitz数分层射流火焰的小火焰模型表现进行了先验性评估。考虑了两种小火焰模型,一种是基于自由传播层流预混火焰的小火焰模型M1,另一种是基于分层对冲小火焰的小火焰模型M2。研究发现M1和M2在c-Z空间的结果与直接数值模拟在定性上是一致的。在物理空间,M2对过程变量反应速率脉动值的预测结果要优于M1.     

湍流扩散火焰局部熄火和再燃现象的PDF模拟

对一个值班湍流CH4／O2／N2射流扩散火焰(Sandia Flame D)进行了数值模拟研究．所采用的数学物理模型包括双尺度的k—ε湍流模型，标量联合的概率密度函数(PDF)输运方程方法，甲烷氧化的ARM简化化学反应机理(包含16种组分，12步总包反应)和欧几里德最小生成树(EMST)小尺度混合模型．将计算结果和实验数据进行了比较，不仅对于平均量，对于标量的散点分布和条件概率密度分布也是如此．计算结果表明文中采用的模型不仅能够预测宏观的火焰结构，而且预测了湍流燃烧中复杂的局部熄火和再燃过程．     

小火焰模型在贫燃预混火焰中的研究

由层流小火焰库引入详细化学反应机理,通过简化的PDF方法计算组分浓度、平均温度和密度等变量,以钝体火焰稳定燃烧室和某燃气轮机上的燃烧室为例,模拟甲烷/空气贫燃条件下预混燃烧的平均火焰位置和火焰厚度,计算结果与实验结果吻合良好,这表明此方法能够较好计算出平均湍流火焰的主要特征。     

CH4/O2/N2层流火焰瞬态响应特性数值分析

用数值分析方法研究CH₄/O₂/N₂层流扩散火焰的瞬态响应特性.采用详细的GRI-Mech 3.0机理(包含53种组分,325个基元反应)描述CH₄氧化和NO_x生成.首先比较火焰面稳态结构的计算结果和实验数据,以验证数值方法的可靠性.用台阶跃变的火焰拉伸率来模拟瞬态流场对火焰面局部结构的影响,给出了火焰面结构(温度、组分浓度)的瞬态响应曲线,分析了火焰面的响应特性.着重探讨了不同拉伸率跃变幅度对响应特性的影响,发现火焰面的响应对于拉伸率正向跃变和负向跃变并不对称,而是相反,且在小的拉伸率跃变范围内火焰面响应时间和拉伸率跃变幅度近似成反比关系.另外,温度的平均响应时间远大于一个典型湍流燃烧场的流动时间尺度,说明火焰面非稳态效应对于湍流燃烧数值模拟有重要意义.     

湍流对多孔介质内预混火焰影响的初步研究

当气流速度较大时,多孔介质内预混燃烧的模拟需要考虑湍流的影响,本文利用简化的k-ε双方程湍流反应流模型对多孔介质内的预混火焰进行了数值模拟.结果表明,湍流大大加强了气流的组分和能世扩散,计算得到的火焰传播速度、CO及NO的排放量都与实验值符合得比较好,与层流模型相比,湍流模型能够改善计算结果.     

流量非对称性对层流火焰传播速度测量的影响

对冲火焰被广泛地应用于测量层流火焰传播速度,但实验中常常出现两个喷嘴的流量非对称,造成流场的非对称性.通过数值模拟发现,流量不对称性使得火焰锋面不断移向流量较小的一侧,两侧火焰速度均发生变化.随着流量差增大,流量较大侧得到的层流火焰速度也稍有增加,而流量较小侧的与对称条件下的一致.建议尽量使用流量较小侧作为测量区域.在常规实验的流量偏差内,使用局部拉伸率拟合所得到的层流火焰传播速度是可靠的.     

Experimental and numerical characterization of a turbulent spray flame

A turbulent ethanol spray flame is characterized through quantitative experiments using laser-based imaging techniques. The data set is used to validate a numerical code for the simulation of spray combustion. The spray burner has been designed to generate a stable flame without the use of a bluff body or a pilot flame facilitating numerical simulations. The experiments include spatially-resolved measurements of droplet sizes (Mie/LIF-dropsizing and PDA), droplet velocity (PDA), liquid-phase temperature (2-color LIF temperature imaging with Rhodamine B) and gas-phase temperature (multi-line NO-LIF temperature imaging). The measurements close to the nozzle exit are used to determine the initial conditions for numerical simulations. An Eulerian–Lagrangian model including spray flamelet modeling is applied to calculate the development of the spray. Good agreement with the experimental data is found. The experimental data set and the numerical results will be published on a website to allow other groups to evaluate their experimental and/or numerical data.     

An investigation of flame zones and burning velocities of laminar unconfined methane-oxygen premixed flames

Numerical and experimental investigations of unconfined methane-oxygen laminar premixed flames are presented. In a lab-scale burner, premixed flame experiments have been conducted using pure methane and pure oxygen mixtures having different equivalence ratios. Digital photographs of the flames have been captured and the radial temperature profiles at different axial locations have been measured using a thermocouple. Numerical simulations have been carried out with a C2 chemical mechanism having 25 species and 121 reactions and with an optically thin radiation sub-model. The numerical results are validated against the experimental and numerical results for methane-air premixed flames reported in literature. Further, the numerical results are validated against the results from the present methane-oxygen flame experiments. Visible regions in digital flame photographs have been compared with OH isopleths predicted by the numerical model. Parametric studies have been carried out for a range of equivalence ratios, varying from 0.24 to 1.55. The contours of OH, temperature and mass fractions of product species such as CO, CO₂ and H₂O, are presented and discussed for various cases. By using the net methane consumption rate, an estimate of the laminar flame speed has been obtained as a function of equivalence ratio.     

Numerical study of methanol flames in laminar forced convective environment using short chemical kinetics mechanism

Due to recent interest in methanol economy, it is seen that a numerical study of combustion of methanol in a comprehensive manner is necessary. Motivated from this interest and based on the studies from literature, a numerical study on prediction of structures of non-premixed methanol-air flames in laminar forced convective environment is reported. Two-dimensional, planar and axisymmetric, computational domains are considered. Corresponding governing equations for conservation of mass, momentum, species and energy have been solved using Ansys FLUENT. The numerical model incorporates multi-component diffusion, variable thermal and physical properties, a short chemical kinetics mechanism with 18 species and 38 elementary reactions, and a non-luminous thermal radiation model. Homogeneous flames in opposed flow and heterogeneous flames in cross-flow and co-flow configurations are studied. For heterogeneous flames, interface conditions at the liquid methanol surface are defined systematically using a user-defined function. Numerical results are validated against the experimental results available in literature. Results in terms of mass burning rates, flow, species and temperature fields have been presented to describe the flame characteristics.     

An experimental and kinetic modeling study of a premixed nitromethane flame at low pressure

A premixed nitromethane/oxygen/argon flame at low pressure (4.67 kPa) has been investigated using tunable vacuum ultraviolet (VUV) photoionization and molecular-beam mass spectrometry. About 30 flame species including hydrocarbons, oxygenated and nitrogenous intermediates have been identified by measurements of photoionization efficiency spectra. Mole fraction profiles of the flame species have been determined by scanning burner position at some selected photon energies. The results indicate that N₂ and NO are the major nitrogenous products in the nitromethane flame. Compared with previous studies on nitromethane combustion, a number of unreported intermediates, including C₃H₄, C₄H₆, C₄H₈, C₂H₂O, C₂H₄O, CH₃CN, H₂CNHO, C₃H₃N and C₃H₇N, are observed in this work. Based on our experimental results and previous modeling studies, a detailed oxidation mechanism including 69 species and 314 reactions has been developed to simulate the flame structure. Despite some small discrepancies, the predictions by the modeling study are in reasonable agreement with the experimental results.     

An experimental and kinetic modeling study of premixed nitroethane flames at low pressure

An experimental and kinetic modeling study is reported on three premixed nitroethane/oxygen/argon flames at low pressure (4.655 kPa) with the equivalence ratios (Φ) of 1.0, 1.5 and 2.0. Over 30 flame species were identified with tunable synchrotron vacuum ultraviolet photoionization mass spectrometry, with their mole fractions quantified as the function of the height above burner. The flame temperature profiles were measured with a Pt–6%Rh/Pt–30%Rh thermocouple. A detailed kinetic mechanism with 115 species and 730 reactions was proposed and validated against experimental results. The computed predictions have shown satisfactory agreement with the experimental results. Basing on the rate-of-production analysis, the reaction pathways that feature the combustion of nitroethane were revealed, including the primary decomposition of C–N bond fission, the oxidation of C2 and C1 hydrocarbons and the formation of nitrogenous species. The presence of NO₂ and NO has been proved to be important for these processes.     

湍流扩散火焰的非稳态火焰面模拟

采用稳态的和非稳态的火焰面模型同时对一个湍流甲烷射流扩散火焰进行了数值模拟,比较了两者对湍流平均火焰结构、活性自由基和污染物(氮氧化物)排放的模拟效果。速度场采用κ-ε模型计算,守恒标量混合物分数的分布通过其概率密度函数(PDF)输运方程的求解得到。稳态的火焰面结构由查询火焰面数据库得到,而非稳态的火焰面结构由火焰面方程和流场方程耦合求解来计算。采用详细的GRI—Mech 3.0机理描述甲烷的氧化和氮氧化物的形成。数值模拟结果和实验数据作了广泛的对比,验证了火焰面模型对湍流扩散燃烧的定量模拟能力。     

A Detailed Kinetic Mechanism of Multistage Oxidation and Combustion of Octanes

This study has been focused on the construction of a generalized detailed kinetic mechanism of oxidation and combustion of isoheptane and isooctanes (2-methylhexane, 2-methylheptane, 2,2-dimethylhexane, and 2,2,4-trimethylpentane) to describe both high-temperature reactions and the low-temperature multistage process with separated stages of “cool,” “blue,” and “hot” flames. In accordance with the proposed mechanism, a numerical simulation of autoignition and flame propagation in homogeneous fuel–air mixtures and liquid droplet combustion has been conducted; the calculation results have been compared with the experimental data. Satisfactory qualitative and quantitative agreement of the calculation and experimental results has been obtained.     

Finite-rate chemistry effects in turbulent opposed flows: comparison of Raman/Rayleigh measurements and Monte Carlo PDF simulations

This study reports results from experimental and numerical investigations of a partially premixed turbulent opposed methane/air jet flame. Experimentally determined properties of the scalar and the flow field are compared to the results from a Monte Carlo simulation. One-dimensional spatially resolved Raman/Rayleigh scattering serves to quantify the mean species concentrations and temperature, whereas laser Doppler velocimetry is used to measure axial and radial velocity components. The simulation is simplified by using a one-dimensional formulation. It includes a Reynolds-stress turbulence model and a Monte Carlo simulation of the joint scalar probability density function (PDF). A non-uniform Monte Carlo particle distribution is used to minimize stochastic errors. The flame is operated close to extinction with strong interactions between turbulence and chemistry. Comparisons between experimental and numerical results reveal a good agreement of mixture fraction profiles along the centreline. However, species scatter plots and mixture fraction PDFs show discrepancies between experiment and simulation. Numerical simulations over-predict the extinction limits and therefore under-predict the intermittent nature of turbulence and mixing of the scalars.     

Influence of ferrocene addition to a laminar premixed propene flame: Laser diagnostics, mass spectrometry and numerical simulations

The detailed influence of ferrocene in a low-pressure, fuel-rich, laminar, premixed propene/oxygen/argon flat flame was investigated experimentally using molecular beam sampling mass spectrometry (MBMS), laser-induced fluorescence (LIF), and compared to numerical simulations. MBMS was applied to analyze the species profiles of important intermediates in the flames with and without ferrocene doping. The concentration profile of iron atoms was measured with absorption sensitive LIF, which provides absolute number densities without additional calibrations. The flame temperature was obtained by two-line OH LIF measurements. One dimensional numerical simulations of the flames using detailed models from the literature were performed and the modeling results are compared with the experimental measurements. The iron measurements show reasonable agreement with the numerical simulation, while some discrepancies were found at larger heights. The MBMS measurements show a decrease in flame velocity when ferrocene was added, which was not provided by the model.