输油管道中汽油蒸汽爆炸的规律研究

综合考虑湍流及化学反应动力学机理对燃烧的影响,建立了详细流动耦合简化的详细化学反应机理的湍流燃烧模型,以有限体积法求解爆炸流动及反应控制方程,对二维压力管道中汽油蒸汽爆炸的过程及规律进行了数值模拟,模拟结果与实验数据有较好的吻合性;分析了各种组分的变化过程及对爆炸的控制作用.为汽油蒸汽爆炸特性及规律的进一步研究、工业防...     

飞机防火试验中的燃烧反应动力学模型研究

使用反应路径分析法对Jet-A型航空煤油燃烧的气相燃烧机理进行简化。选用POSF-4658机理作为Jet-A燃烧的详细反应机理,该机理包含1607种燃烧组分、6633个基元反应机理。将飞机防火试验条件作为简化过程的初始条件,得到78种组分,196个反应机理的Jet-A燃烧机理。通过对Jet-A的简化反应机理、详细反应机理和JetA实验数据的比较可以发现,简化反应机理可以较准确地反映Jet-A型航空煤油在防火试验条件下的燃烧特性。利用常用的Jet-A型航空煤油简化机理计算的绝热火焰温度、点火延迟时间及层流火焰速度与本文提出的简化的计算值进行比较。结果表明,提出的简化机理在防火试验条件下具有较高的精确度。得到的Jet-A简化反应机理可为飞机防火试验的仿真研究提供燃烧场的化学反应动力学模型。     

基于连通法的甲烷简化机理构筑研究

采用连通法，针对甲烷复杂反应机理，成功地进行了不同水平的机理简化研究。通过建立组分依赖关系的正规化Jacobian矩阵，精确地查明了燃烧组分之间的耦合关系，分别构造出仅包含重要化学路径的两个动力学简化模型，获得的简化机理分别包含227和138个反应，分别涉及39和26种组分。通过对层流预混火焰结构的模拟，所得简化机理和原详细反应动力学机理关于火焰结构的计算吻合很好，计算结果显示，两个简化机理具有较高的模拟精度。     

DME简化反应模型及其在HCCI燃烧分析中的应用研究

提出了一个可应用于HCCI发动机工作过程研究的DME化学反应动力学简化模型,该模型由28种组分、38个基元反应组成,包括3个子模型,即低温反应和负温度系数区子模型、高温裂解和高温氧化子模型以及甲酸生成过程子模型.通过算例对比分析,该DME简化模型能正确揭示DME燃烧过程主要生成物组分的变化规律,能准确计算DME燃烧过程低温和高温阶段的放热特征时刻,其计算结果与详细机理计算结果吻合.相对于详细机理,简化模型节省了计算时间,为实现化学反应动力学与CFD多维模型耦合的燃烧计算提供了一个可行而有效的途径.     

楔形障碍物与火焰的作用

采用多镜头Cranz ＆ Schardin高速摄影机,对卧式燃烧方管内楔形障碍物与CH4/空气预混火焰的相互作用进行了实验研究,获得了高清淅度的障碍物诱导火焰失稳的分幅时序照片.基于RANS方法,对上述复杂物理现象进行了数值模拟.计算结果与实验结果基本相符,反映了火焰在管内传播与变形的详细过程,得到了楔形障碍物所导致的火焰加速与变形的内在机理,揭示了火焰传播过程中由层流燃烧向湍流燃烧转捩的本质.     

针对C3H8／空气扩散火焰的PCA简化机理构筑

C3H8是液化石油气（LPG）的主要成分,其火焰结构的数值预测对于消防等相关行业具有重要意义。单步或总包反应过于简单,不能描述碳氢燃料的氧化机制,而耦合燃料详细机理的燃烧模拟计算量大,且描述反应的数学系统具有极强的“刚性”,限制了反应机理的实际应用,而去除冗余反应和组分的简化机理具有描述燃烧的全面性优点,且降低了数学系统的“刚性”,因此耦合简化机理的火焰结构数值预测具有优势。本文采用基于矩阵分析的主成分（PCA）分析技术,分析研究了wang等发展的469步C3H8详细反应动力学机理,获得了组分的重要性排序,基于此分别构筑了320步和214步两个简化机理,针对典型扩散火焰的计算,表明建立的两个简化机理具有较高的模拟可靠性,同时也提供了一种框架简化机理的构筑方法。     

基于浓度敏感性分析和遗传算法的甲烷燃烧机理简化与优化

采用良搅拌反应器模型和层流预混火焰模型计算甲烷/空气燃烧过程,通过元素流通法和浓度敏感性分析法,对甲烷燃烧详细化学动力学机理GRIMECH 3.0进行简化。利用遗传算法,以甲烷/空气详细机理获得的组分浓度和一维层流火焰速度为目标,对简化机理进行优化。结果表明,相比于优化之前的简化机理,优化后的简化机理在描述甲烷/空气燃烧反应的组分浓度、层流火焰速度以及反应物和产物的时空分布方面,具有更高的精度。     

细水雾灭火技术的研究

细水雾灭火技术主要通过汽化隔氧、冷却燃料和氧化剂以及吸收部分热辐射等效应与火相互作用,降低燃烧化学反应速率和火焰传播速率,达到控制和扑灭火灾的目的,不会产生“二次性环境污染”,可以达到火灾防治洁净化目标。为此,对细水雾抑制火灾的过程和机理进行了实验研究和数值模拟,以促进细水雾灭火技术的发展     

中庭火灾烟气流动数值模拟

根据中庭火灾特点 提出了考虑辐射换热损失和壁面传热损失、不考虑燃烧过程、视火焰为体积热源,浮升力作用下火灾烟气湍流流动的场模型,并将辐射换热损失计人壁面传热损失,简化辐射换热模型计算,运用该场模型对中庭模型实验装置火灾烟气流动进行了数值模拟,采用通用软件PHOENICS进行数值计算,研究表明,数值模拟结果与中庭模型实验装置火灾试验结果吻合;以热源模拟火焰的方法对分析中庭火灾烟流发展规律可行。     

基于重要性分析的甲烷/乙烯混合燃烧框架机理构筑

建立了基于重要性分析的详细化学机理分析平台,利用耦合组分化学存活时间和敏感性系数的重要性参数,确定详细机理中的准稳态组分,通过移除这些组分及其相关反应,得到了计算精度较高的框架机理。针对目前燃烧学界较为关注的混合燃烧问题,以甲烷、乙烯这两种典型低碳碳氢燃料为研究对象,对其详细化学反应机理进行了分析,利用重要性分析法构筑框架机理,并对甲烷/空气和甲烷/乙烯/空气预混火焰进行了数值计算。与详细机理相比,框架机理所涉及的组分数与基元反应数都得到了大幅度的降低,计算时间明显减少,但对火焰温度及反应物、生成物、中间组分浓度的预测与采用详细机理得到的结果吻合良好,证明了重要性分析法的有效性与可靠性。     

Mathematical methods for application of experimental adiabatic data – An update and extension

The paper represents some results of comparative analysis of the methods used for processing and interpreting data of adiabatic calorimetry as well as applying it to practical situations. Specifically two approaches are compared – approximate method based on evaluation of simplified kinetics and a more comprehensive, simulation-based method that utilizes the evaluation of more detailed kinetic models.The analysis is focused on two important types of data processing – correction of experimental results on thermal inertia (phi-factor correction) and estimation of adiabatic time to maximum rate (TMR).The most widely cited method for phi-factor correction is considered and its improvement is proposed to enable more precise prediction of the adiabatic time scale. A procedure for phi-factor correction of pressure response is also proposed. The limitations of this enhanced Fisher's method are discussed by comparison with simulation-based method. All the illustrative materials are based on real examples.As an example of application, the simplified method will be used to predict TMR and its limitations will be discussed.     

利用主成分分析法简化甲烷/空气层流预混火焰的反应机理

利用主成分分析(Principal Component Analysis)的方法对甲烷/空气氧化的详细化学反应机理进行了简化，在低压层流预混火焰条件下进行了计算，计算结果与详细机理的计算结果及实验值进行了比较。结果表明简化机理与详细机理吻合较好，简化机理的规模和计算时间有所减少。     

基于活化能指标的煤自燃倾向性及发火期研究

在煤的自燃及热分析动力学的基础上,结合对神东矿区3种煤样进行了热重实验,运用热重分析手段对煤从常温到燃点之间的氧化热解过程进行了研究。运用不同动力学机制模型函数分别对热重分析数据进行了处理和相关性分析,结果表明煤炭氧化热解过程符合一级化学反应动力学机制,据此求出活化能等动力学参数。对基于活化能指标的煤的自燃倾向性及自然发火期进行了初步研究。经过研究发现,该方法是科学的、客观的。     

A general kinetic law for heavy metal vaporization during municipal solid waste incineration

Metal emissions from waste incineration plants become a great environmental concern because of their toxicity for both human health and environment. Metals are not destroyed by high-temperature thermal treatment and some vaporized metals may be emitted. It is thus essential to understand the release mechanism of metals during high-temperature waste treatment, in order to improve the understanding of their behavior and the control of their emission. The objective of this study is to identify the kinetic law for metal release from realistic artificial waste. The vaporization of three metals of most concern (Cd, Pb and Zn) during municipal waste incineration was studied. The vaporization rate at the particle level was determined from the experimental concentration profile in the outlet gas of a fluidized bed reactor, by using the inverse method that was previously developed and validated by our team. As a first step, the kinetic parameters were determined thanks to experiments carried out at several temperatures. Specific laws, for each studied metal, were thus obtained as a function of temperature. Nevertheless, it is very useful to identify all the experimental kinetic curves (all studied metals at all temperatures) to one single mathematical law. Therefore, a general kinetic law, expressing the solid matrix influence on the metal vaporization dynamic, was determined as a second step. It permits to predict the vaporization characteristic time and the time course of the metal concentration in the waste.     

Kinetic mechanism and effects of molecular structure on thermal hazards of azo compounds

In this paper, the kinetic mechanism of AIBN, AMBN, and ABVN was proposed, and the effect of molecular structure on their thermal hazards based on the kinetic mechanism was investigated. Calculated by non-isothermal DSC datum, the kinetic mechanism of AIBN, AMBN, and ABVN is revealed by the linear relationship between the integrated form of mechanical function and reaction time. The results indicate that the thermal decomposition process is controlled by the Johnson-Mehl-Avrami equation. Based on the determination of kinetic mechanism function, the reaction rate constants at various heating rates are directly calculated, and the intercept of the best fitting straight line of reaction rate constants with heating rate is approximately equal to the reaction rate constant under isothermal conditions. Besides, theoretical values obtained by multiplying kinetic mechanism function by reaction rate are well consistent with the experimental values, suggesting that the kinetic mechanism obtained is credible. Bond Dissociation Energies (BDE) calculated by quantum chemical equations are employed to evaluate the thermodynamics stability of AIBN, AMBN, and ABVN. Depending on similar molecular structures, the influence of differentiated group structure on the thermodynamic stability represented by BDE and heat release and the kinetic stability characterized by reaction rate constant were revealed. Finally, the results demonstrate that the thermal hazard increases as the volume of substituent group and molecular weight.     

Numerical study of the effect of obstacles on the spontaneous ignition of high-pressure hydrogen

A numerical simulation of the spontaneous ignition of high-pressure hydrogen in a duct with two obstacles on the walls is conducted to explore the spontaneous ignition mechanisms. Two-dimensional rectangular ducts are adopted, and the Navier–Stokes equations with a detailed chemical kinetic mechanism are solved by using direct numerical simulations. In this study, we focus on the effects of the initial pressure of hydrogen and the position of the obstacles on the ignition mechanisms. Our results demonstrate that the presence of obstacles significantly changes the spontaneous ignition mechanisms producing three distinct ignition mechanisms. In addition, the position of the obstacles drastically changes the interaction of shock waves with the contact surface, and spontaneous ignition may take place at a relatively low pressure in some obstacle positions, which is attributed to the propagation direction and interaction timing of two reflected shock waves.