二甲醚HCCI燃烧高温反应动力学分析

应用单区燃烧模型对二甲醚均质压燃燃烧的化学反应动力学过程进行了数值模拟研究。通过分析在内燃机压燃燃烧边界条件下二甲醚高温氧化反应过程中的关键基元反应速度、关键中间产物以及自由基的浓度随曲轴转角的变化,得到了二甲醚燃烧氧化的高温反应途经。结果表明,二甲醚均质压燃燃烧具有明显的两阶段放热特性,即低温反应放热和高温反应放热。高温反应阶段又可分为蓝焰反应阶段和热焰反应阶段,其中蓝焰反应阶段是甲醛氧化成CO的过程,热焰反应主要是CO氧化成CO2的过程。二甲醚氧化产物之一甲酸(HOCHO)在蓝焰反应阶段分解生成CO2。     

DME/LPG混合燃料HCCI燃烧模拟

根据碳氢燃料化学反应系统具有层次结构的特性,本文通过分析二甲醚(DME)与液化石油气(LPG)的详细化学反应机理,构建了反映DME／LPG混合燃料均质压燃(HCCI)燃烧的详细化学反应机理．采用该机理应用单区燃烧模型对DME／LPG混合燃料HCCI燃烧的化学反应动力学过程进行了数值计算．计算结果与试验结果对比表明,所构建的DME／LPG混合燃料氧化的详细化学反应机理能够准确预测DME／LPG混合燃料的两阶段放热特性,对低温和高温着火始点的预测很好;但高温反应过程预测欠佳,高温反应机理需要改进．     

化学发光光谱的计算机模拟及应用

本文报道了模拟计算化学发光光谱的基本原理和程序编写。以双原子分子ＮＯ（Ａ＾２Σ→Ｘ＾２Π）跃迁为例，系统介绍了模拟的过程和相应的理论处理。同时讨论了常用的面积比方法存在的问题以及光谱模拟在微观反应动力学中对于探讨反应机理的应用。     

空气/天然气λ对QHCCI燃烧过程影响的研究

本文采用天然气气口顺序喷射、柴油引燃方式实现了基于天然气的准均质压燃着火燃烧过程（ＱＨＣＣＩ），本文研 究了气口喷射天然气／空气过量空气系数（λ）ＱＨＣＣＩ对燃烧过程的影响，分析了各种排放产物及燃油经济性同过量空气 系数（λ）、停缸数和引燃柴油量的关系。通过燃烧优化，发动机ＮＯｘ、颗粒和ＮＭＨＣ排放均达到了欧Ⅱ排放指标。     

小波多分辨分析用于化学发光光谱的噪声滤除

本文利用小波变换对化学发光光谱进行了多分辨信号分解 ,有效地滤除噪声 ,提高了光谱信噪比。讨论了不同小波基和分解级次对分析结果的影响。分析表明小波分析对离散信号处理具有一定优势。     

正庚烷复合均质压燃的燃烧与排放特性研究

本文对参比燃料正庚烷(n-heptane)在一台单缸柴油机上进行了复合均质压燃试验,在缸内直喷正庚烷的同时使用电控燃油喷射系统控制进气道的正庚烷喷射量,以达到控制和改善HCCI着火和燃烧的目的.研究了常温常压下,不同预混合比例和不同负荷的正庚烷复合HCCI燃烧和排放特性.研究发现:在保持NOx排放较低的情况下(100×10-6),这种燃烧方式可以有效的拓宽HCCI的运行范围,大幅降低HC排放(平均降低1/3),同时对降低小负荷时的CO排放也有明显效果.     

煤粉燃烧火焰辐射光谱实验研究

针对煤粉燃烧辐射光谱问题,利用光纤光谱仪对煤粉平面火焰炉实验装置煤粉燃烧火焰辐射光谱进行了测量,详细分析了煤粉辐射光谱特征,并基于普朗克辐射传热定律,通过对光谱仪波长响应特性的标定,得到火焰绝对辐射强度随波长的分布情况,进而利用最小二乘法获得火焰温度与辐射率参数,由此提出基于煤粉燃烧火焰辐射光谱测量的火焰参数测量方法。利用该方法对不同燃烧条件下煤粉燃烧参数进行测量,开展了不同燃烧参数下煤粉火焰辐射光谱实验研究,研究结果表明：煤粉燃烧火焰辐射在200～1 100 nm波段具有较强且连续的光谱特征,基于普朗克辐射定律与最小二乘法可实现煤粉燃烧火焰温度与辐射率的测量;煤粉燃烧火焰辐射光谱在590,766,769和779 nm附近可见明显的Na和K等碱金属痕量元素原子光谱发射谱线,并且这些原子谱线的出现与火焰温度有关;随着煤粉浓度的提高,虽然燃烧温度变化不大,但由于火焰辐射率的增加,造成辐射光谱强度的大幅提升。这对锅炉煤粉燃烧优化具有重要参考价值。     

现代光谱对燃烧与爆炸过程瞬态温度的实时诊断技术

燃烧温度是表征燃烧和爆炸行为和特征的重要参数之一,它将有效地指导新型炸药,火工品,爆破器材和新型武器的设计与制造。本文综述了现代光谱对火焰与爆炸过程瞬态温度的实时诊断技术,如原子发射-吸收光谱法、原子发射双谱线法、原子发射多谱线光谱法、分子转振光谱法、激光相干反斯托克斯拉曼光谱法和平面激光诱导荧光光谱法的应用和新近发展。其中原子发射-吸收光谱法的最大时间分辨率可达25μs,双谱线法的时间分辨率可高达0.1μs,完全适应于猛烈的爆炸和燃烧火焰的瞬态实时温度诊断的需要。其他的方法也将对研究火焰与爆炸过程的规律和燃烧瞬态特征的表征提供了新的有效的研究方法。     

甲醇的高压拉曼光谱研究

研究了甲醇在温度301K、压力169．2～713．8MPa下的拉曼特征。其中νCH区伸缩振动随压力增大，拉曼位移向高频方向移动，说明C-H键键能在增大；而νOH区伸缩振动随压力增大，拉曼位移则向低频方向移动，表明氢键对O-H基团的影响大于压力效应。另外，O-H伸缩振动峰的相对面积随压力的增大而减小，说明对C-H键而言，O-H键总强度是减弱的。     

白铜热氧化过程中光谱发射率特性研究

随着科技的发展,工业领域对白铜产品质量的要求日益提升;利用辐射测温技术对白铜在冶炼和加工时的温度进行精确测量,是决定产品质量的重要手段,因此研究白铜的光谱发射率特性就显得尤为重要.基于傅里叶红外光谱仪搭建的光谱发射率测量装置,测量了白铜在四个温度点(673,773,873和973 K),波长范围2～22μm内的光谱发射...     

Laser-assisted homogeneous charge ignition in a constant volume combustion chamber

Homogeneous charge compression ignition (HCCI) is a very promising future combustion concept for internal combustion engines. There are several technical difficulties associated with this concept, and precisely controlling the start of auto-ignition is the most prominent of them. In this paper, a novel concept to control the start of auto-ignition is presented. The concept is based on the fact that most HCCI engines are operated with high exhaust gas recirculation (EGR) rates in order to slow-down the fast combustion processes. Recirculated exhaust gas contains combustion products including moisture, which has a relative peak of the absorption coefficient around 3 μm. These water molecules absorb the incident erbium laser radiations (λ=2.79 μm) and get heated up to expedite ignition. In the present experimental work, auto-ignition conditions are locally attained in an experimental constant volume combustion chamber under simulated EGR conditions. Taking advantage of this feature, the time when the mixture is thought to “auto-ignite” could be adjusted/controlled by the laser pulse width optimisation, followed by its resonant absorption by water molecules present in recirculated exhaust gas.     

Characteristics of auto-ignition in a stratified iso-octane mixture with exhaust gases under homogeneous charge compression ignition conditions

Ignition and propagation of a reaction front in a counterflow system of an iso-octane/air stream mixing with an exhaust gas stream is computationally investigated to understand the fundamental characteristics of homogeneous charge compression ignition (HCCI) auto-ignition. Various mixing rates are imposed on the system and the effects of dissipation rates on auto-ignition are studied. Ignition delay and front propagation speed across the mixing layer are determined as a function of a local mixture fraction variable. The results show that mixture inhomogeneity and dissipation rate have a significant influence on ignition. Diffusive transport is found to either hamper or advance ignition depending on the initial reactivity of the mixture. Based on the relative importance of diffusion on ignition front propagation, two distinct ignition regimes are identified: the spontaneous ignition regime and the diffusion-controlled regime. The transition between these two regimes is identified using a criterion based on the ratio of the timescales of auto-ignition and diffusion. The results show that ignition in the spontaneous regime is more likely under typical HCCI operating conditions with iso-octane due to its high reactivity. The present analysis provides a means to develop an improved modelling strategy for large-scale engine simulations.     

Modelling compression ignition engines by incorporation of the flamelet generated manifolds combustion closure

Tabulated chemistry models allow to include detailed chemistry effects at low cost in numerical simulations of reactive flows. Characteristics of the reactive fluid flows are described by a reduced set of parameters that are representative of the flame structure at small scales so-called flamelets. For a specific turbulent combustion configuration, flamelet combustion closure, with proper formulation of the flame structure can be applied. In this study, flamelet generated manifolds (FGM) combustion closure with progress variable approach were incorporated with OpenFOAM® source code to model combustion within compression ignition engines. For IC engine applications, multi-dimensional flamelet look-up tables for counter flow diffusive flame configuration were generated. Source terms of non-premixed combustion configuration in flamelet domain were tabulated based on pressure, temperature of unburned mixture, mixture fraction, and progress variable. A new frozen flamelet method was introduced to link one dimensional reaction diffusion space to multi-dimensional Computational Fluid Dynamics (CFD) physical space to fulfill correct modelling of thermal state of the engine at expansion stroke when charge composition was changed after combustion and reaction rates were subsided. Predictability of the developed numerical framework were evaluated for Sandia Spray A (constant volume vessel), Spray B (light duty optical Diesel engine), and a heavy duty Diesel engine experiments under Reynolds averaged Navier Stokes turbulence formulation. Results showed that application of multi-dimensional FGM combustion closure can comprehensively predict key parameters such as: ignition delay, in-cylinder pressure, apparent heat release rate, flame lift-off , and flame structure in Diesel engines.     

Stochastic theory of ignition processes

We consider a closed gaseous system immersed in a heat bath undergoing a thermal explosion. The effects of instantaneous fluctuations in the temperature on the heat removal mechanism and on the reaction rate are considered. The intensity of the fluctuations in situations far from equilibrium is determined by calculating the temperature self-correlation. This quantity scales with the inverse of an effective volume obtained from generalized fluctuation-dissipation theory. This determines a virtual system corresponding to the localized ignition process, possibly leading to a global runaway. The induction period is identified with the Kramers mean passage time for diffusion across a kinetic barrier. The induction period is thus shown to be dependent on the fluctuation volume . The diffusion process is hastened by the critical fluctuations. The explosive decomposition of ethyl azide was selected to test the theory and the results exhibit very good agreement with experimental data. Our treatment resolves the previous discrepancy between the predictions rooted in the classical Frank-Kamenetsky treatment and the premature ignition observed experimentally.     

Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate

Currently, most detailed chemical kinetic mechanisms for combustion are still not comprehensive enough and update of key reaction rate is still required to improve the combustion mechanisms. The development of systematic mechanism reduction methods have made significant progress, and have greatly facilitated analysis of the reaction mechanisms and identification of important species and key reactions. In the present work, time-integrated element flux analysis is employed to analyze a skeletal combustion mechanism of a tri-component kerosene surrogate mixture, consisting of n-decane, n-propylcyclohexane, and n-propylbenzene. The results of element flux analysis indicate that major reaction pathways for each component in the surrogate model are captured by the skeletal mechanism compared with the detailed mechanism. After that, sensitivity analysis (SA) and chemical explosive mode analysis (CEMA) are conducted to identify the dominant ignition chemistry. The SA and CEMA results demonstrate that the ignition of n-decane and n-propylcyclohexane is sensitive only to the oxidation chemistry of H₂/CO and C1–C4 small hydrocarbons, while the ignition of n-propylbenzene is very sensitive to the initial reactions of n-propylbenzene and related aromatic intermediates. This demonstrates that the hierarchic structure should be maintained in the reduction of detailed mechanism of substituted aromatic fuels. The skeletal mechanism is further reduced by combining the computational singular perturbation (CSP) method and quasi steady state approximation (QSSA). A 34-species global reduced mechanism is obtained and validated over a wide range of parameters for ignition.     

Identification of homogeneous chemical kinetic regimes of methane-air ignition

Sensitivity analysis results for ignition delay time (IDT) may be very different depending on the initial temperature, pressure and equivalence ratio φ, but similar in some regions of these variables. This phenomenon was investigated systematically by carrying out ignition simulations and local sensitivity calculations of methane−air mixtures using the Aramco-II-2016 mechanism at 14,417 combinations of initial temperature (changed between 500 and 3000 K), initial pressure (0.05−500 atm) and φ (0.05−8.0) values. The cluster analysis of the sensitivity vectors identified five large kinetically homogeneous regions. Each region has well defined borders in the (T, p φ) space and can be characterized by different sets of important reactions. The related kinetic scheme is very different in each region. Regions 1 and 2 are dominated by catalytic cycles based on species CH₃O₂/CH₃O₂H and HO₂/H₂O₂/CH₃O, respectively. In regions 3, 4, and 5 the H atoms are converted to CH₃ in an identical chain branching sequence, but the back conversion is via three different routes. Literature experimental data on the IDTs of methane−air mixtures were sorted according to these five regions. Regions 1 to 5 contain 214, 328, 3, 0, and 237 experimental data points, respectively. In regions 1, 2 and 5 the data points are well reproduced by the Aramco-II-2016 mechanism, but little or no experimental information is available about kinetic regions 3 and 4. Further experimental exploration of the ignition of methane−air mixtures may aim the study of these regions. A similar approach can be used for the characterization of other combustion systems and sorting the related experimental data.     

Large eddy simulation of the low temperature ignition and combustion processes on spray flame with the linear eddy model

Large eddy simulation coupled with the linear eddy model (LEM) is employed for the simulation of n-heptane spray flames to investigate the low temperature ignition and combustion process in a constant-volume combustion vessel under diesel-engine relevant conditions. Parametric studies are performed to give a comprehensive understanding of the ignition processes. The non-reacting case is firstly carried out to validate the present model by comparing the predicted results with the experimental data from the Engine Combustion Network (ECN). Good agreements are observed in terms of liquid and vapour penetration length, as well as the mixture fraction distributions at different times and different axial locations. For the reacting cases, the flame index was introduced to distinguish between the premixed and non-premixed combustion. A reaction region (RR) parameter is used to investigate the ignition and combustion characteristics, and to distinguish the different combustion stages. Results show that the two-stage combustion process can be identified in spray flames, and different ignition positions in the mixture fraction versus RR space are well described at low and high initial ambient temperatures. At an initial condition of 850 K, the first-stage ignition is initiated at the fuel-lean region, followed by the reactions in fuel-rich regions. Then high-temperature reaction occurs mainly at the places with mixture concentration around stoichiometric mixture fraction. While at an initial temperature of 1000 K, the first-stage ignition occurs at the fuel-rich region first, then it moves towards fuel-richer region. Afterwards, the high-temperature reactions move back to the stoichiometric mixture fraction region. For all of the initial temperatures considered, high-temperature ignition kernels are initiated at the regions richer than stoichiometric mixture fraction. By increasing the initial ambient temperature, the high-temperature ignition kernels move towards richer mixture regions. And after the spray flames gets quasi-steady, most heat is released at the stoichiometric mixture fraction regions. In addition, combustion mode analysis based on key intermediate species illustrates three-mode combustion processes in diesel spray flames.     

A study of ignition and combustion of liquid hydrocarbon droplets in premixed fuel/air mixtures in a rapid compression machine

The combustion of two fuels with disparate reactivity such as natural gas and diesel in internal combustion engines has been demonstrated as a means to increase efficiency, reduce fuel costs and reduce pollutant formation in comparison to traditional diesel or spark-ignited engines. However, dual fuel engines are constrained by the onset of uncontrolled fast combustion (i.e., engine knock) as well as incomplete combustion, which can result in high unburned hydrocarbon emissions. To study the fundamental combustion processes of ignition and flame propagation in dual fuel engines, a new method has been developed to inject single isolated liquid hydrocarbon droplets into premixed methane/air mixtures at elevated temperatures and pressures. An opposed-piston rapid compression machine was used in combination with a newly developed piezoelectric droplet injection system that is capable of injecting single liquid hydrocarbon droplets along the stagnation plane of the combustion chamber. A high-speed Schlieren optical system was used for imaging the combustion process in the chamber. Experiments were conducted by injecting diesel droplet of various diameters (50 µm < d_o < 400 µm), into methane/air mixtures with varying equivalence ratios (0 < ϕ < 1.2) over a range of compressed temperatures (700 K < T_c < 940 K). Multiple autoignition modes was observed in the vicinity of the liquid droplets, which were followed by transition to propagating premixed flames. A computational model was developed with CONVERGE™, which uses a 141 species dual-fuel chemical kinetic mechanism for the gas phase along with a transient, analytical droplet evaporation model to define the boundary conditions at the droplet surface. The simulations capture each of the different ignition modes in the vicinity of the injected spherical diesel droplet, along with bifurcation of the ignition event into a propagating, premixed methane/air flame and a stationary diesel/air diffusion flame.     

Glowing ignition of wood: the onset of surface combustion

A theoretical model for wood pyrolysis including char surface oxidation is presented. The main objective is to expose the physical mechanisms governing glowing ignition. By “glowing ignition,” we mean the onset of surface combustion. The char surface oxidation, which can lead to glowing ignition, is considered at the surface boundary condition. Two regimes of char surface oxidation, namely, kinetic and diffusion-controlled, are distinguished. Depending on the char surface oxidation resistances, the char surface oxidation as either kinetic- or diffusion-controlled can be identified. A criterion for glowing ignition is developed based on a surface energy balance. A numerical result shows that according to the present glowing ignition criteria, an inflection point of the surface temperature history can indicate glowing ignition. Generally, a good agreement between theoretical and experimental results at glowing ignition is obtained.     

Detailed measurements of transient two-stage ignition and combustion processes in high-pressure spray flames using simultaneous high-speed formaldehyde PLIF and schlieren imaging

This study investigates the low- and high-temperature ignition and combustion processes in a high-pressure spray flame of n-dodecane using simultaneous 50-kHz formaldehyde (HCHO) planar laser-induced fluorescence (PLIF) and 100-kHz schlieren imaging. The PLIF measurements were facilitated through the use of a pulse-burst-mode Nd:YAG laser, producing a 355-nm pulse-train with 300 pulses at 70 mJ/pulse, separated by 20-µs, in a 6-ms burst. The high-speed HCHO PLIF signal was imaged using a non-intensified CMOS camera with dynamic background emission correction. The acquisition rate of this HCHO PLIF diagnostic is unique to the research community, and when combined with high-speed schlieren imaging, provides unprecedented opportunity for analysis of the spatiotemporal evolution of fuel jet penetration and low- and high-temperature ignition processes relevant to internal combustion engine conditions. The present experiments are conducted in the Sandia constant-volume preburn vessel equipped with a new Spray A injector. The influences of ambient conditions are examined on the ignition delay times of the two-stage ignition events, HCHO structures, and lift-off length values. Consistent with past studies of traditional Spray A flames, the formation of HCHO is first observed in the jet peripheries where the equivalence ratio (Φ) is expected to be leaner and hotter and then grows in size and in intensity downstream into the jet core where Φ is expected to be richer and colder. The measurements demonstrate that the formation and propagation of HCHO from the leaner to richer region leads to high-temperature ignition events, supporting the identification of a phenomenon coined “cool-flame wave propagation” during the transient ignition process. Subsequent high-temperature ignition is found to consume the previously formed HCHO in the jet head, while the formation of HCHO persists in the fuel-rich zone near the flame base over the entire combustion period.