碳氢燃料点火燃烧的简化化学反应动力学模型

基于``准稳态'方法建立了一套复杂化学反应动力学模型简化方法和相应的软件SPARCK. 并以3种典型的碳氢燃料------甲烷、乙烯和庚烷为研究对象，从甲烷点火燃烧的GRI2.11详 细基元反应动力学模型出发简化得出了包含14个组分10步总包反应形式的简化化学反应动 力学模型，从乙烯燃烧的51组分365详细基元反应模型出发简化得出了包含20个组分16 步总包反应形式的简化化学反应动力学模型，从庚烷点火燃烧的160组分1540详细基元反 应模型出发简化得出了包含26个组分22步总包反应形式的简化化学反应动力学模型. 通过 对典型激波管试验的结果对比可以看出：得到的简化反应动力学模型能较为有效地再现 详细基元反应模型的反应机理，具有较高的计算精度. 在工程计算中有较好的应用前景.     

煤油简化动力学和ISAT在超燃计算中的应用

利用基于``准稳态'方法建立的模型简化软件包SPARCK, 从建立的详细模型出发得到了一个包含22组分18步总包反应的煤油简化动力学模型. 简化模型计算得到的点火延迟时间与文献计算结果和实验结果相一致, 验证了模型的有效性. 采用简化模型和当地自适应建表(ISAT)方法, 对超燃冲压发动机进行了二维并行数值模拟, 计算得到的壁面压力分布与试验结果吻合较好, 表明简化模型能够很好地用来模拟煤油燃料超燃发动机内部的复杂燃烧过程. 在并行计算环境下, 和直接积分方法相比, 该方法将化学反应项的计算速度提高了3.73倍, 大大提高了计算效率.      

Recent progress and challenges in fundamental combustion research（燃烧基础研究的进展和挑战）

超过80%的世界的能源转换是由燃烧方法来实现的. 发展可利用替代燃料的清洁和高效的新型发动机是解决可持续能源发展的关键之一. 在燃烧研究领域,实现这一目标的挑战是要揭示从燃料分子到发动机的多尺度燃烧过程中化学反应和火焰动力学机理,发展高效,定量的数值模拟方法和开发新的燃烧技术. 本文从7个方面综述最近几年燃烧领域的基础燃烧研究的进展和挑战. 它们包括低温清洁燃烧的发动机技术,极限条件下的燃烧机理和现象,替代燃料和混合燃料模型,多尺度化学反应模拟方法,高压燃烧反应动力学,基础燃烧的实验方法,和先进测量技术. 本文首先介绍均值充量压缩点火（HCCI）,反应控制压缩点火（RCCI）以及增压燃烧等新型发动机的概念,评述燃料特性和低温燃烧反应过程对湍流燃烧和发动机的影响,讨论发展基础燃烧研究的必要性. 第二,综述燃料浓度分层燃烧,稀薄燃烧,冷炎燃烧,以及等离子体助燃等极限燃烧条件下的新的燃烧现象和火焰机制. 第三,以航空煤油和生物柴油为例来讨论建立模拟真实燃料和替代燃料的混合燃料模型的方法. 介绍活性基指数和输运加权的反应焓的概念并用来比较燃料的高温反应特性和评价燃料的分子结构对燃烧特性的影响. 第四,评述详细化学反应机理简化的方法. 介绍多时间尺度（MTS）的化学反应的模拟和动态关联性自适应机理简化（CO-DAC）的方法来提高详细化学反应机理的计算效率. 第五,讨论高压燃烧的火焰传播速度的实验测量结果以及高压燃烧化学反应机理所存在的问题,并分析高压燃烧的关键组分和反应路径. 第六,评述测量火焰速度和组分等基础燃烧实验方法和模型中的问题和误差来源. 介绍一些改进测量方法和提高测量精度的方法. 最后,介绍测量低温燃烧中的关键组分和自由基的测量方法和最新进展.      

微重力燃烧研究进展

认识燃烧过程是安全、高效、洁净地利用能源的基础. 但是, 常重力条件下的浮力对流和重力沉降使得燃烧现象变得复杂. 而微重力条件下这些影响几乎消失, 这简化了对燃烧的研究. 在加深对地面燃烧过程和载人航天器火灾安全问题的认识的推动下, 经过近半个世纪特别是最近10多年的发展, 微重力燃烧研究已经涵盖了预混气体、气体扩散、液滴、颗粒和粉尘燃烧、燃料表面的火焰传播等燃烧学科的各个领域. 研究中实现了球对称液滴燃烧、不受沉降影响的粉尘燃烧、静止或低速对流环境中的燃烧, 观察到了火球、自熄灭火焰等现象,阐明了碳黑形成中的热泳力效应、可燃极限与火焰稳定性等机理. 加深了对燃烧现象,特别是对辐射效应的理解: 在预混气体、气体扩散、液滴等多种火焰中, 除了停留时间过短引起的吹熄极限外, 还存在辐射热损失过大引起的冷熄极限, 后者只能在微重力条件下观测到. 部分研究成果已经进入教材. 而火焰在微重力下不同于常重力下的现象, 对载人航天器火灾安全具有重要意义. 考虑到我国的现实情况和国内外的研究现状, 建议将煤炭颗粒和粉尘的燃烧、与碳黑相关的机理、辐射效应、化学动力学等作为我国微重力燃烧的主要研究方向.      

大众力学丛书《创建飞机生命密码》——————序言

当我们看到飞机翱翔在蓝天时,心里会升起种种疑问：这样的庞然大物是怎样上天的？它们 为什么能在乱云飞渡之中平稳飞行？它们为什么能高速驰骋于万里云天？它们为什么在频繁 的起降运行中不散架子？$\cdots\cdots$ 如果把飞机比作人,我们会问：它们为什么有如此俊俏的外貌？为什么它们多姿多彩、神态 各异？它们有什么样的皮肤和骨架？它们的心脏(发动机)为什么如此强有力？飞机的长寿 秘诀在哪里？总而言之,创建飞机生命的密码何在？科学家和工程师们为此付出了多少艰辛 的劳动？力学在创建飞机生命的密码发挥了多大的作用？ 翻开这本薄薄的书吧！我们可以从中轻松地得到上面这些问题的答案. 《创建飞机生命密码》是一本有趣的力学科普读物. 与常见的科普书不同,作者虚构了两个 人物------虚心好学的大学生剑青和充满好奇心的中学生夏雯,为了探寻航空的奥秘,他们 认真读书,四处求教,深入思考,逐渐懂得了创建飞机生命的密码,了解了力学在航空事业 发展中的不可或缺的作用. 航空界业者的循循善诱,使他们大大地长了见识;读者跟随他们 足迹也窥见了有关飞机的秘密. 由于这是一本力学科普读物,作者扣住力学在航空发展的作用这一主题,浅显生动地娓娓道 来,不经意间涵盖了力学的几乎所有分支学科：流体力学、固体力学和一般力学(动力学与 控制). 大体说来,前半本书主要涉及流体力学(空气动力学),告诉读者：升力怎 样产生(也就是说,飞机怎样上天),航行中的飞机要承受哪些气动力,怎样产生足够的推力,人类怎样 突破``音障'等深层次的原理;而后半本书主要讲述固体力学和一般力学(弹性力学、气动 弹性、结构力学、飞行力学、振动力学等)的作用,阐释飞机飞行的轨迹、总体架构及其稳 定性、部件材料的疲劳损伤断裂、颤振和抖振的产生和预防、优质复合材料的使用 等等. 全书涉及了许多深奥的力学知识及其应用,但读来相当容易而有兴味. 本书作者是航空界的资深专家,从事航空教学、科研、型号设计已近半个世纪,他深深热爱 航空事业,所带领的不少学生已成为业内的领导和业务骨干. 他全过程地参加了我国第一种 飞机------``运十'的设计、试验、制造、试飞过程,因此,就能得心应手地描述设计和制 造飞机的种种诀窍. 他以十年的深刻感受,深知必须掌握、运用力学知识,才能创造自己的 飞机,才能真切掌握飞机的根底,才能拥有自己的知识产权,才能掌握自己飞机的生命;他 确信中华民族完全能掌握自己大飞机的知识产权. 正是在这种信念驱动下,他以古稀之年, 夙兴夜寐,精心构思创作了这一力学科普著作. 这种精神令人钦佩. 不久前,我国已正式做出决策,将设计制造有自主知识产权的大飞机,相应的公司 已然成立. 这给我国航空业的迅猛发展创造了新的契机,也为我国力学工作者开辟了更大的用武之地, 这本书的推出可谓正当其时. {\ziju{0.03}最后,用本书的结束语的最后一段话做小结:``青年朋友们,天高任鸟飞,海阔凭鱼跃,创 建飞机生命密码是一个极为广阔的舞台,充分发挥你们的聪明才智,趁年青,打下扎实的基 础,厉兵秣马,艰苦奋战,在这个舞台上大显身手吧.'     

CH4/O2/CO2预混体系爆炸动力学研究

为探究甲烷在富氧条件下的火焰动力学规律,以CH₄/O₂/CO₂预混体系为研究对象,在小尺度方形透明管道中进行了一系列爆炸实验,探讨了初始环境温度波动对爆炸参数的影响,并对预混体系的燃烧机理进行分析。结果表明:在273 K的环境温度下,化学当量比φ=0.8~1.0且氧气相对比γ<0.30和φ=1.2且γ<0.35的预混体系不能被点燃,而其他预混体系均可被点燃,最终产生郁金香与非郁金香两种火焰类型,并且根据郁金香火焰独特的演变特征,又划分为T形郁金香火焰和不对称郁金香火焰;随着γ的增大,无量纲火焰传播速度v/(S_Lσ)的变化趋势由“两升两降”转变为“一升一降”。初始环境温度的升高并未对火焰传播速度和爆炸超压的变化趋势产生影响,但是会导致最大爆炸超压p_max和最大火焰传播速度降低。值得注意的是,初始环境温度对爆炸强度的影响随化学当量比的减小而增强。另外,与最大爆炸超压相比,最大火焰传播速度与层流燃烧速度之间的关系更紧密。从敏感性分析中可知:层流燃烧速度对自由基链式反应R38(即H+O₂=O+OH)表现出最大的正敏感度,对R52(即H+CH₃(+M)=CH₄(+M))表现出最大的负敏感度,并且对自由基OH的生成速率最敏感,当初始环境温度升高至303 K时,层流燃烧速度对R38(正)和R52(负)的敏感度降低;H、O和OH自由基总摩尔分数的增大会削弱热扩散的不稳定性,增强流体力学的不稳定性。     

Analytical modeling and simulation of porous electrodes: Li-ion distribution and diffusion-induced stress

A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles.     

Density functional theory study on the influence of cation ratio on the host layer structure of Zn/Al double hydroxides

A density functional theory (DFT) study has been carried out for [Znn-1Al(OH2)n+6(OH)2n-2]3+(n=3-6) and [Znn-1 Al(OH2)2n-2(OH)2n-2 ]3+ (n=7) clusters,which include the basic structural information of the brucite-like lattice structure of Zn/Al layered double hydroxides (LDHs) with Zn/Al molar ratio (R) in the range 2-6,in order to understand the effect of the Zn/Al ratio on the structure and stability of binary Zn/Al LDHs.Based on systematic calculations of the geometric parameters and formation energies of the cluster models,it was found that it is possible for Zn2+ and Al3+ cations to replace Mg2+ isomorphously in the brucite-like structure with different R values,resulting in differences in microstructure of the clusters and unit cell parameter a of the Zn/Al LDHs.Analysis of the geometry and bonding around the trivalent Al3+ or divalent Zn2+ cations reveals that Al3+ plays a more significant role than Zn2+ in determining the microstructure properties,formation and bonding stability of the corresponding ZnRAl clusters when R＜5,while the influence of Zn2+ becomes the dominant factor in the case of R≥5.These findings are in good agreement with experiments.This work provides a detailed electronic-level understanding of how the composition of cations affects the microstructure and stability of Zn-containing binary LDH layers.     

A novel preparation of nanosized hexagonal Mg(OH)2 as a flame retardant

Nanosized dispersive hexagonal magnesium hydroxide (Mg(OH)₂) has been prepared using an ammonia-hydrothermal method. Citric acid and monoethanolamine (MEA) were added to the reaction system during the ammonia precipitation and hydrothermal processes, respectively, to improve the crystallinity and dispersion of the (Mg(OH)₂) particles. The resulting Mg(OH)₂ samples obtained under the optimum preparation conditions were characterized by scanning electron microscopy, X-ray diffraction and thermal gravity analysis, which showed that this newly developed procedure afforded well-dispersed hexagonal nanoplates of Mg(OH)₂ with a mean diameter of 246 nm.     

FORMATION OF MICRO-POROUS SPHERICAL PARTICLES OF CALCIUM SILICATE （XONOTLITE）IN DYNAMIC HYDROTHERMAL PROCESS

Stiming during hydrothermal synthesis plays an important role in the formation of porous spherical xonotlite particles.The size of spherical particles formed during dynamic hydrothermal process is related to the size of minimum vortices in the reaction slurry,which is determined by stirring speed.The kinetics of growth of xonotlite particless is de-termined by measuring the apparent viscosity of the reactant slurry at various reaction time and reaction temperatures.It is found that the growth of particles follows the contracting-volume equation.and the activation energies for nucleation and growth are 104 and 123 kJ-mol,respectively.     

A simple isothermal model for homogeneous-heterogeneous reactions in boundary-layer flow. I Equal diffusivities

A simple model for homogeneous-heterogeneous reactions in stagnation-point boundary-layer flow is constructed in which the homogeneous (bulk) reaction is assumed to be given by isothermal cubic autocatalator kinetics and the heterogeneous (surface) reaction by first order kinetics. The possible steady states of this system are analysed in detail in the case when the diffusion coefficients of both reactant and autocatalyst are equal. Hysteresis bifurcations leading to multiple solutions are found. The temporal stability of these steady states is then discussed.     

Finite Rate Chemistry Effects in Highly Sheared Turbulent Premixed Flames

Detailed scalar structure measurements of highly sheared turbulent premixed flames stabilized on the piloted premixed jet burner (PPJB) are reported together with corresponding numerical calculations using a particle based probability density function (PDF) method. The PPJB is capable of stabilizing highly turbulent premixed jet flames through the use of a small stoichiometric pilot that ensures initial ignition of the jet and a large shielding coflow of hot combustion products. Four lean premixed methane-air flames with a constant jet equivalence ratio are studied over a wide range of jet velocities. The scalar structure of the flames are examined through high resolution imaging of temperature and OH mole fraction, whilst the reaction rate structure is examined using simultaneous imaging of temperature and mole fractions of OH and CH₂O. Measurements of temperature and mole fractions of CO and OH using the Raman–Rayleigh–LIF-crossed plane OH technique are used to examine the flame thickening and flame reaction rates. It is found that as the shear rates increase, finite-rate chemistry effects manifest through a gradual decrease in reactedness, rather than the abrupt localized extinction observed in non-premixed flames when approaching blow-off. This gradual decrease in reactedness is accompanied by a broadening in the reaction zone which is consistent with the view that turbulence structures become embedded within the instantaneous flame front. Numerical predictions using a particle-based PDF model are shown to be able to predict the measured flames with significant finite-rate chemistry effects, albeit with the use of a modified mixing frequency.     

CFD modeling using heterogeneous reaction kinetics for catalytic dehydrogenation syngas reactions in a fixed-bed reactor

A comprehensive 2D computational fluid dynamics （CFD） model was developed to simulate the flow behavior and catalytic dehydrogenation reaction of syngas in a heterogenous fixed-bed reactor （FBR）. The model combined the porous medium CFD model with a reaction kinetics model. To acquire an accu- rate reaction kinetics model, a comprehensive reaction mechanism was studied for the heterogeneous catalytic dehydrogenation reaction ofsyngas over a supported metal catalyst. Based on the reaction mech- anism and a statistical test, a reliable kinetics model was proposed. The CFD model combined with the above kinetics model was validated with one set of experimental data. The CFD model was also used to predict key reaction variable distributions such as the temperature and the component concentrations in the reactor.     

A combined OH/acetone planar laser-induced fluorescence imaging technique for visualizing combusting flows

A combined OH/acetone planar laser-induced fluorescence (PLIF) imaging technique that provides simultaneous visualizations of regions of unburned fuel and of combustion in a reacting flow is described. OH marks the location of chemical reaction and of combustion products, and acetone vapor, which is seeded into the fuel stream, marks unburned fuel. A single pulse from an ultraviolet laser is used to simultaneously excite both the OH and acetone, and the fluorescence from each is detected on separate cameras. Acetone spectroscopy and chemistry are reviewed to provide a basis for interpreting acetone fluorescence signals in high-temperature combusting environments. The imaging technique is applied to two nonpremixed turbulent reacting flows to assess the utility of the technique for visualizing the instantaneous flow structure and to illustrate the dependence of the interpretation of the acetone PLIF images on the flow conditions.Support was provided for this work by the Air Force Office of Scientific Research, Aerospace Sciences Directorate, with Julian Tishkoff as Technical Monitor, and is gratefully acknowledged. The contributions of Mr. T. C. Island in operating the supersonic flow facility are also greatly appreciated.     

Investigation of mixing processes of effusion cooling air and main flow in a single sector model gas turbine combustor at elevated pressure

Mixing processes between main flow and effusion cooling air are investigated in an effusion cooled, swirl-stabilized pressurized single sector gas turbine combustor using advanced laser diagnostics. Quantitative planar laser-induced fluorescence of the hydroxyl radical (OH-PLIF) and planar laser-induced fluorescence of nitric oxide, seeded to the effusion cooling air, (NO-PLIF) are employed in the primary zone and close to the effusion cooled liner. This data is used to identify mixing events at three stages of premixed combustion, i.e. mixing before reaction, mixing during reaction and mixing after reaction. A parametric study of swirl and cooling air mass flow is conducted to investigate the mutual interaction between flame and cooling air. Within the primary zone, a significant radial asymmetry of OH concentration is observed. This asymmetry is partly explained by the presence of effusion cooling air within the unburned fresh gas, leading to lowered OH concentration within local reaction zones and their post-flame equilibrium concentration. Near the effusion cooled liner, adiabatic mixing after reaction is the dominant process across all investigated operating conditions. Notable mixing before reaction is only observed for the first effusion hole on the center line at low swirl conditions.