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.     

超声速预混可燃气流的点火与燃烧

在激波风洞一激波管组合设备上开展了碳氢燃料超声速预混可燃气流的点火与燃烧实验研究。实验结果表明:利用激波对燃料进行预热,并以高温燃气作为引导火焰,可以有效缩短汽油空气超声速可燃混气的点火延迟时间,使之缩短到 0.2 ms以下。利用纹影照片对超声速燃烧流场结构作出了分析;研究了超声速预混可燃气流的温度以及当量比对超声速燃烧流场结构、点火与火焰传播特性的影响。     

H2/air旋流预混燃烧的流场特性和火焰结构分析

本文采用完全可压缩的N-S方程,对当量比为1.0的H₂/air旋流预混火焰进行了直接数值模拟研究。氢气和空气的化学反应采用9种组分19步的详细机理。模拟结果表明,强旋流流场中存在回流区,碗形旋流火焰稳定在回流区的外围。在火焰面上沿火焰法向提取了局部火焰结构,将局部湍流火焰结构与层流预混火焰的火焰结构进行了比较,发现局部湍流火焰比层流预混火焰更薄,燃烧强度更高。     

抬举湍流H2/N2射流火焰的PDF模拟

采用数值目的研究了一个高温燃烧产物环境中的抬举湍流H₂/N₂射流火焰,对火焰的自然和抬举特性进行了研究.采用标量联合概率密度函数(PDF)目的处理详细的化学动力学过程,而湍流流场采用一个多时间尺度(MTS)k-ε湍流模型计算.计算中结合了一套描述氢气氧化的详细化学反应动力学机理.计算结果和实验数据进行了对比,表明所采用的模型可以精确的模拟火焰抬举高度和自然的过程.     

一维湍流模型对He平面羽流和CH4/H2/N2射流火焰的数值模拟

本文采用一维湍流模型（ODT）对氦气平面羽流和CH₄/H₂/N₂射流火焰进行数值模拟,和前人的实验结果进行定量地对比。结果表明,ODT模型能够准确地预测平面羽流基本特征,湍流涡团的分布同流场拉伸率之间具有密切的关系,涡团强度的分布能够直观地表明当地的湍流强度。ODT模型埘CH₄/H₂/N₂瞬态火焰的模拟定性反应了火焰特性及其与湍流作用的规律,对温度-混合分数的预测值和实测值进行比较,发现甲烷火焰燃烧在富燃料侧并未达到平衡状态,因而基元反应对火焰特性的预测具有重要作用。     

湍流预混火焰点火与传播特性研究

可燃预混气的点火与传播过程是发动机燃烧领域最重要的课题之一,尤其是湍流与化学反应的相互作用对预混气点火和火焰传播的影响机理有待进一步研究。本文利用定压球形火焰研究了氢气/氧气/氩气(Le1)在可燃极限条件(当量比0.3)下湍流对点火与火焰传播过程的影响,研究表明,在该工况下,湍流有助于可燃气点火过程,火焰传播过程中,由于湍流的影响,局部拉伸率大于0的区域火焰传播增快,局部拉伸率小于0的区域火焰传播受到抑制,甚至出现局部熄火。     

等离子催化重整CH4/CO2中的协同效应及积碳动力学

本文采用实验测量和数值模拟结合的方法,对NSD等离子体–催化剂协同重整CH₄/CO₂过程中的协同效应以及积碳动力学进行研究。构建了包含中性分子、自由基、振动激发态、电子激发态、带电粒子、表面吸附态等物质在内的详细动力学机理。采用ZDPlasKin-CHEMKIN耦合的方法迭代求解等离子体放电过程、气相反应动力学及表面反应动力学在内的详细动力学机理。在300～700 K的温度范围内,该动力学模型能较好地预测反应物的消耗和产物的生成,路径通量分析表明CH₃在催化剂表面上的直接吸附反应以及CH₄振动激发态分子的吸附态CH₄(vs)在催化剂表面上的解离吸附均可促进吸附态CH₃(s)的生成。积碳动力学研究表明催化剂上的积碳主要来源于吸附态CH(s)的脱氢反应CH(s)+Ni(s)→C(s)+H(s)。     

管状燃烧器中低热值预混气的燃烧特性

实验研究了低热值CH₄/N₂/Air预混气在旋流管状燃烧器中的燃烧以及污染物排放特性。固定过量空气系数为1.17,通过调节N₂比例得到热值在3.6～5 MJ/m³之间的低热值预混气。结果表明,管状火焰半径随预混气热值降低而减小,当热值小于一定值时,燃烧器的燃烧效率急剧下降,烟气中CO含量大量增加,但NO_x含量始终很低。     

氢气对薄反应区湍流火焰详细火焰结构影响研究

氢是一种非常有前景的清洁可再生能源载体.掺氢燃料预混稀燃是当前开发清洁高效的低排放燃气轮机最重要的能源转化方式之一。本文基于预混CH₄/H₂/air本生灯火焰,对氢气掺混影响下的湍流火焰详细火焰结构进行了测量和表征。实验采用CH₂O和OH基平面激光诱导荧光(PLIF,Planar Laser Induced Fluorescence)同步测量技术,获得了火焰预热区、反应区以及已燃区的详细火焰结构信息。本文对反应区和预热区火焰厚度进行了提取和统计。研究表明,氢气对火焰反应区、预热区均有明显作用。结果表明,掺氢小幅度增厚反应区厚度,但能够比较明显地降低预热区厚度。     

CH4掺混对高压H2泄漏自燃的抑制机制研究

本文采用高阶离散格式和详细动力学模型模拟了高压CH₄/H₂泄漏自燃过程。结果表明高压H₂泄漏自燃具有以下特性:H₂/空气间高压差会产生稀疏波、激波和燃料/空气接触断面等流动特征;高压H₂射流前端的空气温度在0.5μs内可升至1000 K以上;泄漏着火起始于贫燃区;着火后,H₂/空气扩散层内部存在多个火焰区域。对比不同混合水平下CH₄/H₂的泄漏自燃过程则发现,CH₄的加入极大地提升了高压储氢安全性。CH₄掺混抑制泄漏自燃的机制体现在三个方面:致使压缩空气的温升下降;降低燃料整体活性,尤其是H自由基的积累速率减缓;降低火焰锋面处的达姆科勒数,加剧自由基运输损失。本研究表明,向高压H₂中掺混高摩尔质量、低化学活性的其他气体是降低自燃风险的一种有效手段。     

收缩楔腔内激波汇聚诱导点火实验

文章提出了一种采用圆柱形汇聚激波实现可燃气体点火特性研究的新方法.通过采用激波动力学理论合理地设计壁面型线, 将激波管中产生的平面运动激波近乎连续地转变为扇形区内圆柱形汇聚激波.以氢氧预混气体为考察对象, 开展了相关激波管实验, 实现了可控圆柱面激波汇聚诱导点火.实验发现两种点火现象:强点火和弱点火.在强点火过程中, 点火由入射激波直接诱导产生; 而在弱点火过程中, 点火则是在波后气流经历热压缩过程后发生.      

Simultaneous rainbow schlieren deflectometry and OH* chemiluminescence imaging of a diesel spray flame in constant pressure flow rig

The physical and chemical phenomena that take place during fuel injection, entrainment and fuel-air mixing, cool-flame and ignition reaction, and combustion in diesel sprays still require extensive study. Global parameters such as liquid and vapor jet penetration lengths and spreading rates render useful yet still limited information. Understanding of the temporal evolution of the spray as it progresses through various steps is needed to develop advanced clean combustion modes and high-fidelity predictive models with sufficient accuracy. In this study, high-speed rainbow schlieren deflectometry (RSD) and OH* chemiluminescence are used to simultaneously image fuel-air mixing, cool-flame reactions, ignition, flame propagation and stabilization, and combustion in a transient diesel-like flame. A constant pressure flow rig (CPFR) is used to conduct multiple injections in quick succession to obtain a statistically relevant dataset. n-heptane was injected at nominal supply pressure of 1000 bar from a single-hole diesel injector into ambient at pressure of 30 bar and temperature of 800 K. About 500 injections were performed and analyzed to reveal structural features of non-reacting and reacting regions of the spray, quantify jet penetration and spreading rates, and study cool-flame behavior, ignition, flame propagation and stabilization at lift-off length, and combustion at upstream and downstream locations.     

Numerical simulation and validation of SI-CAI hybrid combustion in a CAI/HCCI gasoline engine

SI-CAI hybrid combustion, also known as spark-assisted compression ignition (SACI), is a promising concept to extend the operating range of CAI (Controlled Auto-Ignition) and achieve the smooth transition between spark ignition (SI) and CAI in the gasoline engine. In this study, a SI-CAI hybrid combustion model (HCM) has been constructed on the basis of the 3-Zones Extended Coherent Flame Model (ECFM3Z). An ignition model is included to initiate the ECFM3Z calculation and induce the flame propagation. In order to precisely depict the subsequent auto-ignition process of the unburned fuel and air mixture independently after the initiation of flame propagation, the tabulated chemistry concept is adopted to describe the auto-ignition chemistry. The methodology for extracting tabulated parameters from the chemical kinetics calculations is developed so that both cool flame reactions and main auto-ignition combustion can be well captured under a wider range of thermodynamic conditions. The SI-CAI hybrid combustion model (HCM) is then applied in the three-dimensional computational fluid dynamics (3-D CFD) engine simulation. The simulation results are compared with the experimental data obtained from a single cylinder VVA engine. The detailed analysis of the simulations demonstrates that the SI-CAI hybrid combustion process is characterised with the early flame propagation and subsequent multi-site auto-ignition around the main flame front, which is consistent with the optical results reported by other researchers. Besides, the systematic study of the in-cylinder condition reveals the influence mechanism of the early flame propagation on the subsequent auto-ignition.     

Degree centrality of combustion reaction networks for analysing and modelling combustion processes

Combustion research still needs more advanced fundamental understanding of combustion chemistry and dynamics from molecule scale to particle. The latter is also needed for soot and nanoparticles formation and combustion system control such as homogeneous charge compression ignition engine, and flame regimes and instability. The complex interactions between hundreds of species linked within thousands of reactions continue to be a challenge to analyse and model. The focus on this paper is to develop a method to facilitate the modelling and analysing of the detailed kinetics chemistry of fuels combustion. Through the use of combustion reaction networks (CRNs) analysis of degree centrality, principal species are identified during a combustion process by exploiting the introduced definition of principal species. A principal, central or the more active species of a combustion process, at a specific time step or cell of area/volume mesh, is the more tied up to other species in the CRN and so have the largest value of degree centrality. The accuracy of the dynamic identification of principal species, locally adapted to the thermochemical conditions at each time step/cell of the simulated combustion process, used by the employed directed relation graphs method of mechanisms reduction, is proved. The simulations were carried out using an adjusted dynamic adaptive chemistry approach of detailed chemistry implementing. It is demonstrated that an ‘active’ species in a combustion system would not necessary be considered as a part of important species set needed for its predictive simulations.     

DNS Of the ignition process of n-heptane/air premixed combustion with low-temperature chemistry in turbulent boundary layer

In the present work, three-dimensional direct numerical simulation (DNS) of $n$-heptane/air premixed combustion in turbulent boundary layer was performed to explore the near-wall ignition process with low-temperature chemistry. A reduced chemical mechanism with 58 species and 387 elementary reactions for $n$-heptane combustion was used in the DNS. The general characteristics of the ignition process near the wall were examined. It was found that low-temperature ignition (LTI) dominates the upstream region, and high-temperature ignition (HTI) appears in the downstream region. The ignition process and the low-temperature chemistry pathways of the DNS are compared with those of a corresponding laminar case. It was found that the ignition process was affected by turbulence, which results in thickened reaction zones. However, the carbon flow analysis of low-temperature chemistry showed that turbulence rarely affects the low-temperature chemistry pathway. The combustion modes of various regions were scrutinized based on the budget terms of species transport equations and the chemical explosion mode analysis (CEMA). It was shown that the reaction term of ${\text{RO}}_2$ is significant during the LTI process of the upstream region, and the reaction terms of ${\text{CH}}_2\mathrm{O}$ and ${\text{CO}}_2$ are evident in the downstream region, indicating the occurrence of HTI. It was also shown that auto-ignition is dominant in the upstream region. With increasing streamwise distance, the contribution of flame propagation increases, which takes over that of auto-ignition in the near-wall region.     

A new ignition time model applied to super knock

An ignition time model is developed to model super knock in a compression engine. The model assumes that thermoacoustic interaction is the primary mechanism for the onset of super knock. By ignoring diffusive effects, a simple transport equation for the time to ignition of a fluid particle is derived. The significantly reduced cost of the chemistry model allows for complex hydrocarbon fuels to be simulated. Additionally, a zonal model for the secondary ignition of a charge due to the action of an expanding flame is developed. The flame compresses the unburned gas, causing the temperature and pressure to rise, which yields a pre-ignition in the unburned gas before the charge is engulfed by the flame. It is shown that the ignition time model compares well to the detailed chemical model with less than 1% difference in the prediction of ignition delay. Using this ignition time model, a multi-dimensional simulation of super knock in a rapid compression machine corresponding to the configuration of Wang et al. [1] is performed. It is found that interaction of the shock with the flame and the side wall of the cylinder significantly enhances the strength of the shock, and the in-cylinder pressure exceeds 300 bar. From the pressure rise predicted by the simulation, it is concluded that simulated ignition is a super knock event. Since the ignition time model excludes diffusive effects on the chemistry, it is proposed that acoustic resonance of the cylinder is the primary driver in the development of super knock for the configuration under examination and that inhomogeneous ignition due to transient flame compression could be a key mechanism for super knock.     

Skeletal mechanism generation with CSP and validation for premixed n-heptane flames

An automated procedure has been previously developed to generate simplified skeletal reaction mechanisms for the combustion of n-heptane/air mixtures at equivalence ratios between 0.5 and 2.0 and different pressures. The algorithm is based on a Computational Singular Perturbation (CSP)-generated database of importance indices computed from homogeneous n-heptane/air ignition solutions. In this paper, we examine the accuracy of these simplified mechanisms when they are used for modeling laminar n-heptane/air premixed flames. The objective is to evaluate the accuracy of the simplified models when transport processes lead to local mixture compositions that are not necessarily part of the comprehensive homogeneous ignition databases. The detailed mechanism was developed by Curran et al. and involves 560 species and 2538 reactions. The smallest skeletal mechanism considered consists of 66 species and 326 reactions. We show that these skeletal mechanisms yield good agreement with the detailed model for premixed n-heptane flames, over a wide range of equivalence ratios and pressures, for global flame properties. They also exhibit good accuracy in predicting certain elements of internal flame structure, especially the profiles of temperature and major chemical species. On the other hand, we find larger errors in the concentrations of many minor/radical species, particularly in the region where low-temperature chemistry plays a significant role. We also observe that the low-temperature chemistry of n-heptane can play an important role at very lean or very rich mixtures, reaching these limits first at high pressure. This has implications to numerical simulations of non-premixed flames where these lean and rich regions occur naturally.     

DNS of spark ignition using Analytically Reduced Chemistry including plasma kinetics

In order to guarantee good re-ignition capacities in case of engine failure during flight, it is of prime interest for engine manufacturers to understand the physics of ignition from the spark discharge to the full burner lightning. During the ignition process, a spark plug delivers a very short and powerful electrical discharge to the mixture. A plasma is first created before a flame kernel propagates. The present work focuses on this still misunderstood first instants of ignition, i.e., from the sparking to the flame kernel formation. 3D Direct Numerical Simulations of propane-air ignition sequences induced by an electric discharge are performed on a simple anode-cathode set-up. An Analytically Reduced Chemistry (ARC) including 34 transported species and 586 irreversible reactions is used to describe the coupled combustion and plasma kinetics. The effect of plasma chemistry on the temperature field is found to be non-negligible up to a few microseconds after the spark due to endothermic dissociation and ionization reactions. However, its impact on the subsequent flame kernel development appears to be weak in the studied configuration. This tends to indicate that plasma chemistry does not play a key role in ignition and may be omitted in numerical simulations.     

1-庚烯/空气的高压层流火焰传播研究

本文使用定容圆柱形燃烧弹,在初始温度373 K和初始压力1、2、5、10 atm的条件下,对当量比从0.7到1.5的1-庚烯/空气混合物的层流火焰传播进行了研究.利用记录的纹影图像处理得到层流火焰传播速度和马克斯坦长度.基于先前报道的1-己烯燃烧反应动力学模型,发展了1-庚烯的模型.该模型验证了本工作测量的1-庚烯层流火焰传播速度数据及文献中的1-庚烯着火延迟时间数据.通过开展敏感性分析和路径分析,帮助理解了1-庚烯在不同压力下的高温化学及其对层流火焰传播的影响.另外,比较了1-庚烯/空气和先前报道的正庚烷/空气的层流火焰传播.由于更强的放热性及反应活性,1-庚烯/空气的层流火焰传播速度在绝大多数条件下均快于正庚烷/空气的结果.     

Development of a reduced biodiesel surrogate model for compression ignition engine modeling

Methylbutanoate (MB), a C₄ methyl ester, represents the simplest surrogate that captures the chemical effects of the ester moiety in biodiesel and biodiesel surrogates. An updated chemical kinetic model has been developed to characterize the ignition and flame characteristics of MB. The mechanistic elements within this model that relate to the MB and smaller ester/oxygenate sub-mechanisms are drawn from the prototypical Fisher et al. model and from more recent theory and modeling efforts. The MB model development which is based on an iterative procedure involving global sensitivity analyses to identify elementary reactions that govern ignition and subsequent high level ab initio based theoretical updates to these reaction rates are presented. The MB model makes reasonable predictions of ignition delays and laminar flame speeds.The C₅–C₇ submechanisms from the LLNL n-heptane (NH) model were merged with the present MB model to obtain a detailed chemical kinetics model for a surrogate blend representing biodiesel. The detailed MB-NH model (661 species) was reduced using graph based techniques. The robust reduction techniques employed result in a reduced model (145 species) that is in good agreement with the detailed model over a wide range of conditions. 3-D compression ignition (CI) engine simulations utilizing this reduced chemistry model for MB-NH blends as a surrogate for biodiesel show good agreement with the experimental data suggesting the utility of this model for predictions of combustion and emission characteristics of biodiesel in realistic CI engine simulations.