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Vorticity generation and flame distortion induced by shock flame interaction 激波火焰相互作用引起的涡量产生和火焰畸变
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80467-0
Yiguang Ju , Akishi Shimano , Osamu Inoue

The vorticity generation and flame distortion by the shock propagation through a cylindrical H2/air flame are investigated numerically with detailed chemistry. it is shown that flame distortion and the appearance of the second shock waves greatly affects the total circulation. For strong shock wave, the results show that the flame distortion and interaction of the second shock waves yield subscale vortices. A comparison between the present prediction and the theory reveals that the predicted total circulation is lower than that given by theory. The results also show that the shock flame interaction results in significant distortion and break-up of the flame. The effects of shock strength on the flame distortion, the length of flame front, and the mass burning velocity are examined. The results show that both the total mass burning velocity and the length of the flame front increase dramatically with the shock Mach number. The mean local burning velocity is obtained by normalizing the total burning velocity with the length of the flame front. A good agreement between the mean local burning velocity and the burning velocity of laminar H2/air flame is obtained. It is concluded that the flame distortion induced by the shock flame interaction is very close to the laminar flamelet regime.

对激波在圆柱形H2/空气火焰中传播时产生的涡量和火焰畸变进行了数值模拟和详细的化学研究。结果表明,火焰畸变和二次激波的出现对总循环有较大影响。结果表明,对于强激波,火焰畸变和二次激波的相互作用产生亚尺度涡旋。通过与理论预报的比较表明,预报的总环流比理论预报的要低。结果还表明,激波火焰的相互作用导致了火焰的明显变形和破裂。研究了冲击强度对火焰畸变、火焰前缘长度和质量燃烧速度的影响。结果表明:随着激波马赫数的增大,总质量燃烧速度和火焰前缘长度均显著增大;通过对总燃烧速度与火焰前缘长度的归一化,得到了局部平均燃烧速度。得到了局部平均燃烧速度与层流H2/空气火焰的燃烧速度吻合较好的结果。结果表明,激波火焰相互作用引起的火焰畸变非常接近层流小火焰状态。
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引用次数: 37
Sulfur Transformation in a South Australian Low-Rank Coal during pyrolysis 南澳大利亚低阶煤热解过程中硫的转化
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80010-6
Dong-Ke Zhang, Marnie Telfer

Sulfur transformation during pyrolysis of a high sulfur low-rank coal from South Australia has been studied. Three experimental techniques covering a wide range of conditions, namely, temperature-programmed pyrolysis, fixed-bed pyrolysis, and fluidized-bed pyrolysis, have been employed to investigate the effect of pyrolysis conditions on the interactions between different forms of sulfur and mechanisms of sulfur evolution during coal pyrolysis. Both chemical analysis method following Australian Standards and SEM with an energy dispersive X-ray detector are used for sulfur analysis of the char. The results reveal that sulfur evolution is a net result of organic and inorganic sulfur decomposition and interaction. The presence and conversion of inorganic sulfur into complex organic sulfur compounds provide a major mechanism for sulfur retention in char during pyrolysis. The difference in heating rates in the different pyrolysis experiments does not change the natural of the sulfur transformations but affects the extent to which they occur. Faster heating rates do not necessarily imply greater sulfur evolution due to formation of complex organic sulfur. Coal samples pretreated by acid washing and Ca and Na ion exchange are also used to examine the role of inorganic matter in sulfur transformation. At low temperatures (<400°C) acid washing shows little effect on sulfur retention, but at higher temperatures, sulfur retention is greatly reduced. While Na ion exchange enhances sulfur retention compared to the acid washed coal particularly at high temperatures (>400°C), Ca ion exchange shows the opposite trend. An increase in sulfide formation in the Ca ion-exchanged coal at high temperatures is observed, indicating that organic sulfur decomposition is enhanced in the presence of Ca. The effect on sulfur retaining of potential reactions involving Ca ions with sulfur may be offset by the catalyzing influence of Ca ions on organic sulfur decomposition.

研究了南澳大利亚一种高硫低阶煤在热解过程中的硫转化。采用程序升温热解、固定床热解和流化床热解三种实验技术,研究了不同热解条件对煤热解过程中不同形态硫相互作用的影响以及硫的演化机理。采用澳大利亚标准的化学分析方法和带能量色散x射线探测器的扫描电镜对焦炭进行硫分析。结果表明,硫的演化是有机和无机硫分解和相互作用的净结果。无机硫的存在和转化为复杂的有机硫化合物是煤热解过程中硫保留的主要机制。不同热解实验中升温速率的差异不会改变硫转化的性质,但会影响硫转化的发生程度。由于复杂有机硫的形成,更快的加热速率并不一定意味着更大的硫演化。用酸洗和钙钠离子交换预处理的煤样考察了无机物在硫转化中的作用。在低温(400℃)下,酸洗对硫的保留作用不大,但在高温下,硫的保留作用大大降低。与酸洗煤相比,钠离子交换提高了硫的保留率,特别是在高温下(>400℃),而钙离子交换则表现出相反的趋势。观察到高温下钙交换煤中硫化物的形成增加,表明Ca的存在促进了有机硫的分解。Ca离子与硫的潜在反应对保硫的影响可能被Ca离子对有机硫分解的催化作用所抵消。
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引用次数: 10
Thermodynamic and kinetic analysis using AB initio calculations on dimethyl-ether radical+O2 reaction system 二甲醚自由基+O2反应体系的从头算热力学和动力学分析
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80406-2
Takahiro Yamada, Joseph W. Bozzelli, Tsan Lay

Reaction pathways and kinetics are analyzed on CH3OC·H2+O2 reaction system using ab initio calculations to determine tehrmodynamic properties of reactants, intermediate radicals, and transitionstate (TS) compounds. Enthalpies of formation (ΔHf298o) are determined using the CBS-q//MP2(full)/6-31G(d,p) method with isodesmic reactions. Entropies (S298o) and heat capacities (Cp(T) 300≤T/K≤1500) are determined using geometric parameters and vibrational frequencies obtained at the MP2(full)/6-31G(d,p) level of theory. Quantum Rice-Ramsperger-Kassel (QRRK) analysis is used to calculated energy-dependent rate constants, k(E), and the master equations is used to account for collisional stabilization. The dimethyl-ether radical CH3OC·H2 (ΔHf298o=0.1 kcal/mol) adds to O2 to form a peroxy radical CH3OCH2OO·(ΔHf298o=−33.9 kcal/mol). The peroxy radical can undergo dissociation back to reactants or isomerize via hydrogen shift (Ea,rxn=17.7 kcal/mol) to form a hydroperoxy alkyl radical C·H2OCH2OOH, (ΔHf298o=−26.5 kcal/mol). This alkyl radical can undergo β-scission reaction to formaldehyde (CH2O)+hydroperoxy methyl radical (C·H2OOH), (Ea, rxn=24.7 kcal/mol). The hydroperoxy methyl radical rapidly decomposes to a second CH2O plus OH. The reaction barriers for CH3OCH2 +O2 to 2 CH2O+OH are lower than the energy needed for reaction back to CH3OC·H2+O2, and provide a low-energy chain propagation path for dimethyl-ether oxidation.OH+CH3OCH3CH3OCH2+H2O(1)+)CH3OCH2+O22CH2O+OH¯(2)CH3OCH3+O22CH2O+H2OComparison of calculated fallof

采用从头算方法分析了CH3OC·H2+O2反应体系的反应途径和动力学,确定了反应物、中间自由基和过渡态化合物的热力学性质。生成焓(ΔHf298o)采用CBS-q//MP2(full)/6-31G(d,p)等速反应法测定。熵(s2980)和热容(Cp(T) 300≤T/K≤1500)是用理论的MP2(full)/6-31G(d,p)水平的几何参数和振动频率确定的。量子Rice-Ramsperger-Kassel (QRRK)分析用于计算与能量相关的速率常数k(E),并使用主方程来解释碰撞稳定。二甲基醚自由基CH3OC·H2 (ΔHf298o=0.1 kcal/mol)与O2结合形成过氧自由基ch3och200·(ΔHf298o=−33.9 kcal/mol)。过氧自由基可以解离回反应物或通过氢位移异构化(Ea,rxn=17.7 kcal/mol)形成羟基烷基自由基C·H2OCH2OOH (ΔHf298o=−26.5 kcal/mol)。该烷基自由基可与甲醛(CH2O)+羟基甲基自由基(C·H2OOH)发生β-裂解反应,(Ea, rxn=24.7 kcal/mol)。氢氧甲基迅速分解成第二个CH2O + OH。CH3OCH2 +O2到2CH2O+OH的反应势垒低于反应回CH3OC·H2+O2所需的能量,为二甲基醚氧化提供了低能链传播路径。OH+CH3OCH3→CH3OC⋅H2+H2O(1)+) CH3OCH3·H2+O2→2CH2O+OH¯(2)CH3OCH3+O2→2CH2O+H2O的TS计算值与实验值的比较表明,为了与Sehested等人的数据相匹配,需要降低cs -q计算的C·H2OCH2OOH→C·H2OOH+CH2O的Ea, rxn。重要反应的速率常数为(k=A(T/ k) exp(−Ea/RT}), A单位cm3/(mol s), Ea单位kcal/mol): k1, (2.33×1063)(T/ k)−16.89e−11.89/RT, CH3OC·H2+O2⇒ch3och200·;CH3OC·H2+O2⇒CH2O+CH2O+OH在1atm下的k3, (T/K)−5.46e−8.59/RT。
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引用次数: 4
Effect of dimethyl ether, NOx, and ethane on CH4 oxidation: High pressure, intermediate-temperature experiments and modeling 二甲醚、NOx和乙烷对CH4氧化的影响:高压、中温实验和模拟
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80428-1
Toshiji Am Ano , Frederick L. Dryer

The effects of small amounts of dimethyl ether (DME), NO, and NO2 on the autoignition and oxidation chemistry of methane, with an without small amounts of ethane present, were experimentally studied in a flow reactor at pressures and temperatures similar to those found in spark- and compression-ignition engines (under autoignition conditions). The reactions were studied at pressures from 10 to 18 atm, temperatures from 800 to 1060 K, and equivalence ratios from 0.5 to 2.0. It is found that 1% DME addition is as effective in stimulating the autoignition and oxidative behavior of methane as 3% C2H6 addition, and that NOx at even ppm levels is more effective than hydrocarbon additives. For the same reaction time and temperatures below 1200 K, addition of small amounts of NOx lowered the temperature at which reaction becomes significant by more than 200 K. Chemical kinetic mechanisms in the literature for the interactions of methane, ethane, and NOx do not predict the reported observations well. The most significant rate-controlling reactions for CH4 autoignition is found to be CH3+HO2=CH3O+OH. Good agreement, with and without NOx perturbations can be obtained by modifying the rate constants of three reactions (CH3+HO2=CH3O+OH; CH3+HO2=CH4+O2: CH2O+HO2=HCO+H2O2) and by adding the reaction CH3+NO2=CH3O+NO to the GRI-Mech v2.11 mechanism. These modifications do not significantly affect predictions for shock tube, flame, and other results used in developing GRI-Mech v2.11. Results strongly suggest that exhaust gas residuals and/or exhaust gas recirculation can have as profound an effect as natural gas contaminants on the apparent octane and cetane behavior.

在流动反应器中,实验研究了少量二甲醚(DME)、NO和NO2对甲烷自燃和氧化化学反应的影响,以及不存在少量乙烷的情况,其压力和温度与火花点火和压缩点火发动机(自燃条件下)的压力和温度相似。在压力为10 ~ 18atm,温度为800 ~ 1060k,当量比为0.5 ~ 2.0的条件下研究了反应。研究发现,添加1%二甲醚与添加3% C2H6对甲烷的自燃和氧化行为的刺激效果相同,且即使ppm水平的NOx也比碳氢化合物添加剂更有效。在相同的反应时间和低于1200 K的温度下,添加少量NOx使反应变得显著的温度降低了200 K以上。文献中关于甲烷、乙烷和氮氧化物相互作用的化学动力学机制并不能很好地预测所报道的观测结果。CH4自燃最显著的速率控制反应是CH3+HO2= ch30 +OH。通过改变三个反应的速率常数(CH3+HO2= ch30 +OH;CH3+HO2=CH4+O2: CH2O+HO2=HCO+H2O2),并将CH3+NO2= ch30 +NO加入GRI-Mech v2.11机制。这些修改不会显著影响在开发GRI-Mech v2.11中使用的激波管,火焰和其他结果的预测。结果强烈表明,废气残留物和/或废气再循环对辛烷和十六烷的表观行为具有与天然气污染物一样深远的影响。
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引用次数: 88
The role of equivalence ratio oscillations in driving combustion instabilities in low NOx gas turbines 当量比振荡在驱动低氮氧化物燃气轮机燃烧不稳定性中的作用
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80022-2
Tim Lieuwen, Ben T. Zinn

This paper presents a theoretical investigation of combustion instabilities in low NOX gas turbines (LNGT) that burn fuel in a lean premixed mode. It is shown that these instabilities may be caused by interactions of combustor pressure oscillations with the reactants' supply rates, producing equivalence ratio perturbations in the inlet duct. These perturbations are convected by the mean flow to the combustor where they produce large-amplitude heat-release oscillations that drive combustor pressure oscillations. It is shown in this study that in contrast to earlier analyses, which assumed a uniform instantaneous heat release throughout the flame region, the heat release within the flame may exhibit strong spatial dependence that can significantly affect the combustor stability. The proposed instability mechanism is incorporated into a model that is used to predict LNGT stability limits. The model results show that LNGT are highly prone to combustion instabilities, especially under lean operating conditions, and that the regions of instability can be approximately described in terms of a ratio of the reactants' convective time from the fuel injector to the combustor and the period of the oscillations (with some modifications that account for the structure of the combustion region). Significantly, the developed model's predictions are in good agreement with available experimental data, strongly suggesting that the proposed mechanism and the developed model properly account for the essential physics of the problem.

本文对低氮氧化物燃气轮机在稀薄预混模式下的燃烧不稳定性进行了理论研究。结果表明,这些不稳定性可能是由燃烧室压力振荡与反应物供给速率的相互作用引起的,在进口管道中产生等效比扰动。这些扰动被平均气流对流到燃烧室,在那里它们产生大振幅的热释放振荡,驱动燃烧室压力振荡。本研究表明,与先前的分析相反,假设整个火焰区域的瞬时热释放均匀,火焰内的热释放可能表现出强烈的空间依赖性,这可以显著影响燃烧室的稳定性。提出的不稳定机制被纳入用于预测LNGT稳定极限的模型。模型结果表明,LNGT非常容易发生燃烧不稳定,特别是在精益工况下,不稳定区域可以用反应物从喷油器到燃烧器的对流时间和振荡周期的比值(对燃烧区域的结构进行一些修改)来近似描述。值得注意的是,开发的模型的预测与现有的实验数据非常吻合,有力地表明,提出的机制和开发的模型正确地解释了问题的基本物理性质。
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引用次数: 396
Computational and experimental study of a forced, timevarying, axisymmetric, laminar diffusion flame 强迫时变轴对称层流扩散火焰的计算与实验研究
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80462-1
Rahima K. Mohammed, Michael A. Tanoff , Mitchell D. Smooke, Andrew M. Schaffer, Marshall B. Long

Forced, time-varying flames are laminar systems that help bridge the gap between laminar and turbulent combustion. In this study, we investigate computationally and experimentally the structure of an acoustically forced, axisymmetric laminar methane-air diffusion flame, in which a cylindrical fuel jet is surrounded by a coflowing oxidizer jet. The flame is forced by imposing a sinusoidal modulation on the steady fuel flow rate. Rayleigh scattering and spontaneous Raman scattering of the fuel are used to generate the temperature profile. Particle image velocimetry (PIV) is used to measure the fuel tube exit velocity over a cycle of the forcing modulation. CH flame emission measurements have been done to predict the excitedstate CH (CH*) levels. Computationally, we solve the transient equations for the conservation of total mass, momentum, energy, and species mass with detailed transport and finite-rate C2 chemistry submodels to predict the pressure, velocity, temperature, and species concentrations as a function of the two independent spatial coordinates and time. The governing equations are written in primitive variables. Implicit finite differences are used to discretize the governing equations and the boundary conditions on a nonstaggered, noniumiform grid. Modified damped Newton's method nested with a Bi-CGSTAB iteration is utilized to solve the resulting system of equations. Results of the study include a detailed description of the fluid dynamic-thermochemical structure of the flame at a 20-Hz frequency. A comparison of experimentally determined and calculated temperature profiles and CH* levels agree well. Calculated mole fractions of species indicative of soot production (C2H2, CO) are compared against those levels in the corresponding steady flame and are observed to increase in peak concentration values and spatial extent. Analysis of acetylene production rates reveals additional significant production in the downstream region of the flame at certain times during the flame's cyclic history.

强迫的时变火焰是层流系统,有助于弥合层流和湍流燃烧之间的差距。在本研究中,我们通过计算和实验研究了声强迫轴对称层流甲烷-空气扩散火焰的结构,其中圆柱形燃料射流被共流氧化剂射流包围。火焰是强加一个正弦调制在稳定的燃料流量。利用燃料的瑞利散射和自发拉曼散射产生温度分布。采用粒子图像测速法(PIV)测量燃料管在强制调制周期内的出口速度。已经用火焰发射测量来预测激发态CH (CH*)的水平。在计算上,我们用详细的输运和有限速率C2化学子模型求解了总质量、动量、能量和物质质量守恒的瞬态方程,以预测压力、速度、温度和物质浓度作为两个独立空间坐标和时间的函数。控制方程用原始变量表示。采用隐式有限差分法对非交错非均匀网格上的控制方程和边界条件进行离散化。利用嵌套Bi-CGSTAB迭代的修正阻尼牛顿法求解得到的方程组。研究结果包括在20赫兹频率下火焰的流体动力学-热化学结构的详细描述。实验测定的温度分布和计算的温度分布与CH*水平的比较符合得很好。计算出的指示烟尘产生的物质(C2H2, CO)的摩尔分数与相应的稳定火焰中的水平进行了比较,并观察到峰值浓度和空间范围的增加。对乙炔产率的分析表明,在火焰循环历史的某些时期,火焰下游区域有额外的显著产率。
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引用次数: 56
Triple flames in mixing layers with nonunity lewis numbers 非统一路易斯数混合层中的三重火焰
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80459-1
J. Daou, A. Linán

The present paper is devoted to the study of the effects of nonunity Lewis numbers on triple-flame propagation in nonuniform mixtures. For definiteness, the case of a strained reactive mixing layer is considered. The fuel and oxidizer that are fed to the mixing layer are allowed to have different initial temperatures. Specifically, we examine how the triple flames encountered in this context are influenced by (a) the transverse gradients in the temperature and composition of the fresh reactive mixture and (b) by differential-diffusion effects.

The analysis is carried for a single irreversible reaction with a large activation energy and using the thermo-diffusive model. Analytical expressions describing the flame shape, the local burning speed, and the propagation velocity of the triple flame are obtained. In particular, it is found that the Lewis numbers affect the propagation of the triple flame in a way similar to that obtained in the studies of stretched premixed flames. For example, the flame curvature determined by the transverse gradients in the frozen mixing layer leads to flame-front velocities that grow with decreasing values of the Lewis numbers.

本文研究了非统一路易斯数对非均匀混合物中三火焰传播的影响。为了明确起见,考虑了应变反应混合层的情况。供入混合层的燃料和氧化剂允许具有不同的初始温度。具体来说,我们研究了在这种情况下遇到的三重火焰是如何受到(a)新鲜反应混合物的温度和成分的横向梯度和(b)微分扩散效应的影响的。采用热扩散模型,对活化能较大的单一不可逆反应进行了分析。得到了火焰形状、局部燃烧速度和三重火焰传播速度的解析表达式。特别地,我们发现路易斯数对三重火焰传播的影响与在拉伸预混火焰的研究中得到的类似。例如,由冻结混合层中的横向梯度决定的火焰曲率导致火焰前速度随着刘易斯数的减小而增大。
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引用次数: 32
Transient combustion response of homogeneous solid propellant to acoustic oscillations in a rocket motor 均匀固体推进剂对火箭发动机声振荡的瞬态燃烧响应
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80084-2
Tae-Seong Roh, Sourabh Apte, Vigor Yang

Interactions between acoustic waves and the transient combustion response of a double-base homogeneous propellant in a rocket motor have been analyzed numerically. The analysis extends the previous work on gas-phase flame dynamics to include the coupling with condensed-phase processes. Consequently, a more complete description of propellant combustion response to imposed acoustic oscillations can be obtained. Emphasis is placed on the near-surface flame-zone physiochemistry and its coupling with unsteady propellant burning in an oscillatory environment. The formulation treats complete conservation equations and the finite-rate chemical kinetics in both the gas-phase and subsurface regions. The instantaneous propellant burning rate is predicted as part of the solution. Various distinct features of unsteady heat release arising from propellant combustion response in a motor with forced oscillations are studied systematically. As in the pure gas-phase dynamics of the previous case, the dynamic behavior of the luminous flame plays a decisive role in determining the motor stability characteristics. However, the propellant combustion response may qualitatively modify the temporal evolution of heat-release distribution in the luminous flame and as a result exerts a significant influence on the global stability behavior. The primary flame structure adjacent to the propellant surface is usually little affected by flow oscillation. This may be attributed to the large thermal inertial of the condensed phase, which tends to restrain the temperature variation in the near-surface zone in the present study of laminar flows. The situation with a turbulent flow may be drastically different, as turbulence may penetrate directly into the, primary flame and substantially change the local flame dynamics and transport phenomena.

对火箭发动机中双基均质推进剂的瞬态燃烧响应与声波的相互作用进行了数值分析。该分析扩展了以前关于气相火焰动力学的工作,包括与冷凝相过程的耦合。因此,可以更完整地描述推进剂对施加的声学振荡的燃烧响应。重点讨论了振荡环境下近表面火焰区物理化学及其与非定常推进剂燃烧的耦合。该公式处理完整的守恒方程和气相和地下区域的有限速率化学动力学。推进剂的瞬时燃烧速率被预测为解决方案的一部分。系统地研究了强迫振荡发动机推进剂燃烧响应引起的非定常放热的各种不同特征。与前一种情况的纯气相动力学一样,发光火焰的动态行为对决定电机的稳定性特性起着决定性的作用。然而,推进剂的燃烧响应可以定性地改变发光火焰中放热分布的时间演变,从而对全局稳定性行为产生重大影响。靠近推进剂表面的一次火焰结构通常受流动振荡的影响很小。这可能是由于凝聚相的热惯性较大,在目前层流研究中,这往往会抑制近地表区域的温度变化。湍流的情况可能会有很大的不同,因为湍流可以直接渗透到初级火焰中,并大大改变了局部火焰的动力学和输运现象。
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引用次数: 15
Extinction of stretched spray flames with nonunity Lewis numbers in a stagnation-point flow 滞点流动中非统一刘易斯数拉伸火焰的消光
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80046-5
Shuhn-Shyurng Hou , Ta-Hui Lin

The extinction of stretched premixed flames under the influence of dilute fuel sprays is studied using activation energy asymptotics. A completely prevaporized mode and a partially prevaporized mode of flame propagation are identified. Three parameters for flame extinction in the analysis consist of the mass fraction of liquid fuel and the initial droplet size of the spray, indicating the internal heat loss and heat gain for rich and lean sprays, respectively, and the flow stretch coupled with Lewis number (Le) that intensifies and weakens the burning strength of the Le<1 and Le>1 flame, respectively. The study presents sample calculations on lean ethanol-spray flames (Le>1), rich ethanol-spray flames (Le>1), and rich methanol-spray flames (Le<1). Results show that the burning intensity of a spray flame with Le>1 is weakened by the flow stretch: however, it is enhanced (further reduced) when the lean (rich) spray has a larger amount of liquid fuel loading or a smaller initial droplet size. It is generally found that the external heat loss associated with the flow stretch dominates the trend for flame extinction. The coupling effects of flow stretch and internal heat gain result in that there exists flame flashback instead of flame extinction for rich methanol-spray flames (Le<1).

利用活化能渐近法研究了稀燃料喷雾作用下拉伸预混火焰的消光问题。确定了火焰传播的完全预蒸发模式和部分预蒸发模式。分析中火焰熄灭的三个参数为液体燃料的质量分数和喷雾的初始液滴尺寸,分别表示了丰富和稀薄喷雾的内部热损失和热增益,以及与Le<1和Le>1火焰燃烧强度增强和减弱的流动拉伸量(Le)。本研究给出了贫乙醇喷射火焰(Le>1)、富乙醇喷射火焰(Le>1)和富甲醇喷射火焰(Le<1)的样本计算。结果表明:Le>1的喷雾火焰的燃烧强度因流动拉伸而减弱,而当稀(富)喷雾的液体燃料装载量较大或初始液滴尺寸较小时,燃烧强度增强(进一步降低)。通常发现,与流动拉伸相关的外部热损失主导了火焰熄灭的趋势。流动拉伸和内部热增益的耦合作用导致富甲醇喷雾火焰存在火焰闪回而不是火焰熄灭(Le<1)。
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引用次数: 17
Numerical study of low- and high-temperature silane combustion 低温和高温硅烷燃烧的数值研究
Pub Date : 1998-01-01 DOI: 10.1016/S0082-0784(98)80095-7
V.I. Babushok, W. Tsang, D.R. Burgess Jr., M.R. Zachariah

Self-ignition and flame propagation properties of silane combustion systems have been studied through computer simulations using a database of kinetic and thermodynamic information that is consistent with current understanding of the elementary processes. These new inputs include the mechanism for chain branching through the SiH3 radical, rate constants for the reactions of HO2 with silane and its breakdown products, and the reaction of SiO with oxygen. Over the entire temperature range, the simulations show two distinct mechanisms. At low temperatures, the kinetics of SiH3 is controlling, whereas at high temperatures, SiH2 chemistry is of key importance. The results demonstrate that the upper explosion limit and ignition at room temperature and 1 bar can be described by the same set of reactions. With the new database, many of the experimental observations can be reproduced, and predictions are made regarding dependencies on process parameters. These include the critical conditions for chain ignition, the dependence of the critical pressure on the ratio of silane and oxygen concentration, and the temperature dependence of the critical ratio of silane to oxygen concentration. A scenario for low-temperature ignition is presented. At high temperatures, the importance of condensation processes for accurate prediction of flame velocities is clear. For very lean flames, the maximum reaction rate occurs at the lower temperature region of the flame zone.

通过计算机模拟研究了硅烷燃烧系统的自燃和火焰传播特性,利用动力学和热力学信息数据库,与目前对基本过程的理解相一致。这些新的输入包括SiH3自由基的链分支机制,HO2与硅烷及其分解产物的反应速率常数,以及SiO与氧的反应。在整个温度范围内,模拟显示了两种不同的机制。在低温下,SiH3的动力学是受控的,而在高温下,SiH2化学是至关重要的。结果表明,在室温和1bar下的爆炸上限和点火可以用同一组反应来描述。有了新的数据库,许多实验观察结果可以被复制,并对工艺参数的依赖性进行预测。其中包括链着火的临界条件,硅烷与氧浓度的临界压力的依赖关系,以及硅烷与氧浓度的临界比的温度依赖关系。提出了一种低温点火方案。在高温下,冷凝过程对于准确预测火焰速度的重要性是显而易见的。对于非常稀薄的火焰,最大反应速率发生在火焰区的较低温度区域。
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引用次数: 30
期刊
Symposium (International) on Combustion
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