Methane pyrolysis in preparation of pyrolytic carbon: Thermodynamic and kinetic analysis by density functional theory

The density functional theory has been successfully applied in analyzing pyrolytic carbon deposition by methane pyrolysis from the view of thermodynamics and kinetics based on a total number of 39 elementary reactions. M06-2X/def2-TZVP level was employed to optimize species structures and locate the transition states. The enthalpy changes and Gibbs free energy changes of all the reactions in the temperature range of 298.15–1800 K were derived with optimized species. Results show that the reacting temperature should be above 1200 K based on the equilibrium constant analysis, which is consistent with the typical reaction temperature adopted in experiments. Potential energy surface profiles report that radical attacking reactions have lower energy barriers than those direct decomposition reactions, especially hydrogen radical attacking reactions. The energy barriers of the first steps, dehydrogenations of methane and ethylene, are 272.4 kJ·mol⁻¹ and 288.9 kJ·mol⁻¹ at 1200 K, which are very close to the experimental activation energy for methane pyrolysis. The most favorable decomposition reaction path is the path of hydrogen radical attacking reactions. The highest energy barrier of the path at 1200 K is 185.7 kJ·mol⁻¹ presented by the C–H bond breaking in ethynyl attacked by hydrogen radical.     

碳氢燃料超声速燃烧的化学动力学研究 (Ⅰ)甲烷超声速燃烧的简化化学动力学模型

采用雷诺平均Ｎ－Ｓ方程对碳氢燃料甲烷（ＣＨ４） 在超声速流动中混合燃烧过程进行了数值研究, 提出了简化的甲烷燃烧的反应机理及反应动力学模型, 建立了Ｂａｌｄｗ ｉｎ－Ｌｏｍ ａｘ 代数涡粘性湍流模型, 采用了高精度的ＴＶＤ隐式格式和化学源项隐式解法, 计算结果和氢气／空气超燃的计算结果进行了比较, 表明所采用的反应机理及计算模型合理, 算法可行, 就算例结果而言,碳氢化合物作为一种超燃燃料有其独特的优势, 值得进一步深入研究     

液氧甲烷发动机点火冲击特性研究

为研究液氧甲烷发动机燃烧室点火冲击特性及影响因素，根据爆轰波产生的机理，建立了甲烷推进剂液相蒸发数学模型，采用C-J（Chapman-Jouguet）爆轰理论，计算和分析了不同混合比、初温及初压对爆轰参数的影响规律。结果表明，爆轰波的强度与初压、初温及混合比密切相关。初压越高，初温越低，越接近化学当量混合比时，爆轰压比、温度比和爆轰速度越大；减小点火时刻推进剂积存量，增强燃烧装置点火能力，可降低爆轰波强度，减少点火瞬态冲击。     

液氧/甲烷发动机推力室多循环热-结构分析

为了研究一款液氧/甲烷发动机推力室多循环工作状态下的结构变形，拓展并验证了一种包括流动-传热分析和非线性有限元分析的热-结构分析方法。通过该方法得到了推力室热载荷与压力载荷分布，并分析了推力室在这些载荷下的应力应变响应。研究表明：推力室整体结构变形并非主要取决于热载荷，压力载荷引起的冷却通道底面弯曲在喷管扩张段尤其明显；后冷阶段产生的弹塑性拉伸应变大于热试阶段产生的压缩应变是导致每次循环结束后结构产生残余应变的直接原因；随着工作循环次数的增加，扩张段的冷却通道底角位置残余应变累积速率最快，该部位被确定为结构失效的潜在位置；增加冷却剂入口附近的通道底面厚度、减小后冷阶段与热试阶段的温差以及将冷却通道的尖锐底角设计为圆角可以成为抑制变形和减缓应变累积的备选措施。     

介质阻挡体放电对甲烷扩散火焰CH*自发辐射影响实验研究

为分析非平衡等离子体对空气/甲烷扩散火焰的助燃效果，实验以发射中心谱线430nm的激发态自由基CH*表征火焰燃烧状态，采用同轴圆柱构型激励器在高频交流模式下激发等离子体，分析了火焰CH*自发辐射图像、火焰高度、CH*径向分布和燃烧释热速率等火焰特性在不同空气流量和当量比下随放电电压的变化规律。结果表明：等离子体激励在空气流量较低时，会显著增强火焰上游甲烷燃烧，从而降低CH*空间分布高度和火焰高度；空气流量增大后，有利于促进甲烷充分燃烧，增大火焰下游CH*辐射强度和分布范围。在火焰上游区域，等离子体气动效应可有效扩展甲烷径向分布，实现剪切层更宽范围燃烧，其活化效应会明显提高剪切层燃烧强度，并随电压增大作用效果逐渐增强。此外，等离子体激励会使燃烧器喷嘴出口附近火焰释热速率显著增大，该现象在空气-甲烷动量比较大时更容易发生。     

Design and operation of an anaerobic digester for waste management and fuel generation during long term lunar mission

Waste treatment and management for manned long term exploratory missions to moon will be a challenge due to longer mission duration. The present study investigated appropriate digester technologies that could be used on the base. The effect of stirring, operation temperature, organic loading rate and reactor design on the methane production rate and methane yield was studied. For the same duration of digestion, the unmixed digester produced 20–50% more methane than mixed system. Two-stage design which separated the soluble components from the solids and treated them separately had more rapid kinetics than one stage system, producing the target methane potential in one-half the retention time than the one stage system. The two stage system degraded 6% more solids than the single stage system. The two stage design formed the basis of a prototype digester sized for a four-person crew during one year exploratory lunar mission.     

甲烷点火燃烧的简化化学反应动力学模型

1引言超燃发动机的燃烧室是整个超燃发动机研究的关键所在,有效缩短碳氢燃料的点火延迟时间,提高点火性能,对于缩短发动机长度、减轻发动机重量、提高其性能具有极其重要的意义[1]。碳氢化合物的燃烧是一个很复杂的化学过程,以甲烷为例[2],描述其详细燃烧反应机理的GR I-Mech化     

Experimental study of entrainment phenomenon in a trapped vortex combustor

Trapped vortex combustor (TVC) is an advanced low-pollution gas turbine combustor, with the adoption of staged combustion technique. To achieve low-pollutant emission and better combustion performance, the proportion of the air flow in each combustion zone should be precisely determined in the design of the combustor. Due to the presence of entrainment phenomenon, the total air flow in the cavity zone is difficult to estimate. To overcome the measurement difficulty, this study adopts the indirect measurement approach in the experimental research of entrainment phenomenon in the cavity. In accordance with the measurement principle, a TVC model fueled by methane is designed. Under two experimental conditions, i.e. with and without direct air intake in the cavity, the influence of the mainstream air flow velocity, the air intake velocity in the cavity, the height of inlet channel, the structure of holder and the structural proportion of the cavity on entrainment in the cavity is studied, respectively, through experiment at atmospheric temperature and pressure. The results suggest that the air flow velocity of mainstream, the air intake velocity of the cavity and the structure of the holder exert significant influence on the air entrainment, while the influence of structural proportion of the cavity is comparatively insignificant. The square root of momentum ratio of cavity air to mainstream air could be used to analyze the correlation of the entrainment data.     

甲烷预冷器性能及与压气机参数匹配研究

以甲烷为冷却剂的预冷型涡轮基组合发动机以其较高的冷却性能和密度比冲等优点,成为未来宽速域飞行器动力装备问题的重要研究方向。针对该型发动机的核心部件——预冷器,建立理论计算模型对其综合性能进行了评估,并提出了一种熵函数分析法,对预冷器与压气机工作参数匹配特性开展理论分析。计算结果表明,所提出的预冷器方案换热有效度在0.5~0.72,功重比达到250kW/kg;甲烷预冷措施能将涡轮发动机工作速域扩展至Ma=3.1,此状态来流空气最高被冷却180K。对预冷器和压气机整体结构,“单位比热的比熵”与冷却剂当量比和压气机压比均成正相关。压气机能在根据材料耐高温极限设计的预冷器/压气机共同工作线上获得最高压比,但需消耗大量冷却剂,导致发动机比冲和热循环效率降低;冷却剂当量比始终控制在1.0左右的工作线能获得较高比冲、压比和热循环效率,同时消耗的功率和冷却剂均较低;保持较低熵增设计的工作线有较高热循环效率和较低功耗,但压比偏低,发动机难以提供较高输出功率。     

甲烷超声速燃烧过程的数值模拟

提出了一种CH4／O2在超声速气流中燃烧的6方程化学反应模型，并且用在超声速高温空气中横向喷射的二维流场进行了数值模拟验证，特别模拟了不同来流条件和壁面条件对燃烧效率的影响及CH4和空气中的氧气混合燃烧的过程。数值方法采用二阶精度的Harten-Yee隐式TVD格式，计算结果表明6方程反应模型能较好地反映CH4／O2的燃烧过程。