双温度氩-氮等离子体热力学和输运性质计算

获得覆盖较宽温度和压力范围内的等离子体热力学和输运性质是开展等离子体传热和流动过程数值模拟的必要条件.本文通过联立Saha方程、道尔顿分压定律以及电荷准中性条件求解等离子体组分;采用理想气体动力学理论计算等离子体热力学性质;基于Chapman-Enskog方法求解等离子体输运性质.利用上述方法计算了压力为0.1, 1.0和10.0 atm (1 atm=101325 Pa),电子温度在300—30000 K范围内,非局域热力学平衡(电子温度不等于重粒子温度)条件下氩-氮等离子体的热力学和输运性质.结果表明压力和非平衡度会影响等离子体中各化学反应过程,从而对氩-氮等离子体的热力学及输运性质有较大的影响.在局域热力学平衡条件下,计算获得的氩-氮等离子体输运性质和文献报道的数据符合良好.     

大气压非平衡等离子体甲烷干法重整零维数值模拟

大气压非平衡等离子体由于其独特的非平衡特性,可为甲烷和二氧化碳稳定温室气体分子活化和重整提供非热平衡和活化环境.本文采用了零维等离子体化学反应动力学模型,考虑了详细的CH₄/CO₂等离子体化学反应集,重点研究了反应气体CH₄/CO₂摩尔分数(5%—95%)对大气压非平衡等离子体甲烷干法重整制合成气和重要含氧化合物的影响.首先,给出了进料气体不同体积比时电子密度和温度随时间的演化规律,结果表明初始甲烷摩尔分数的提高有利于获得较高的电子密度和电子温度.随后,讨论了主要自由基和离子数密度在不同的甲烷摩尔分数下随着时间的变化规律,并给出了反应气体的转化率、合成气体和重要含氧化合物的选择性.此外,还明确了合成气和含氧化合物主要生成和损耗的化学反应路径,发现甲基和羟基是合成含氧化合物的关键中间体.最后,归纳总结给出了主要等离子体粒子之间的总体等离子体化学反应流程图.     

辐射平衡壁温下有限催化模型数值模拟

文章发展了高超声速飞行器辐射平衡壁温下有限催化的数值方法,将数值模拟结果与基于返回舱外形的风洞实验数据进行了对比,并进一步针对典型高超声速飞行器钝双锥研究了辐射平衡壁温下有限催化对气动热环境的影响规律.针对返回舱外形的数值实验表明,完全催化与完全非催化边界条件下壁面热流密度均与风洞实验结果偏差较大,而采用合适的有限催化模型获得的壁面热流密度与风洞实验结果符合良好.针对典型高超声速飞行器钝双锥的研究表明,在辐射平衡温度边界条件下驻点附近氧原子的催化复合系数约为0.17,氮原子的催化复合系数约为0.026,大面积区则分别降为0.005 3和0.01.在驻点热流密度方面,完全催化的壁面热流峰值比有限催化高约21%,而完全非催化的壁面热流峰值比有限催化低约29%.      

细颗粒湍流聚并的分区法群平衡模拟

通过聚并促进细颗粒(PM_2.5)特别是亚微米颗粒(PM_1.0)团聚长大或被大颗粒捕集,是提高其脱除效率的有效方法之一。本文采用分区法对燃煤电厂尾部烟气中飞灰的聚并进行了群平衡模拟研究。利用圆柱阵列实现的湍流聚并装置,圆柱横向间距为4倍直径时,纵向间距宜在圆柱直径的15~30倍之间,在工程上较为可行的条件下,对于PM_1.0可达到55%或更高的聚并效率。粗颗粒的存在对于细颗粒聚并具有明显的促进作用,聚并停留时间越短,该作用相对越显著。     

VERIFICATION OF SMOM AND QMOM POPULATION BALANCE MODELING IN CFD CODE USING ANALYTICAL SOLUTIONS FOR BATCH PARTICULATE PROCESSES

For many processes of industrial significance, due to the strong coupling between particle interactions and fluid dynamics, the population balance must be solved as part of a computational fluid dynamics （CFD） simulation. In this work, a CFD based population balance model is tested using a batch crystallization reactor. In this CFD model, the population balance is solved by the standard method of moments （SMOM） and the quadrature method of moments （QMOM）. The results of these simulations are compared to analytical solutions for the population balance in a batch tank where 1） nucleation, 2） growth, 3） aggregation, and 4） breakage are taking place separately. The results of these comparisons show that the first 6 moments of the population balance are accurately predicted for nucleation, growth, aggregation and breakage at all times.     

静电陀螺仪MUM小角度读取的相关技术研究

讨论了同步解调法实现静电陀螺仪质量不平衡调制（MUM，Mass-Unbalanced Modulation）小角度读取的原理，分析了影响读取分辨率的各种因素，并对其实施方案中的相关技术进行了探讨。研究表明，尽管MUM读取方案非常适用于实心转子静电陀螺仪，但前提是将其小角度读取的分辨率提高到可与光电方法相比的水平（角秒级）。要实现这一目标，首先要保证转子和电极的机械特性达到一定要求；在此基础上，还要在支承系统的结构、转子位移测量电路设计等方面进行精心设计。     

横观各向同性三维热弹性力学通解及其势理论法

通过引入两个位移函数，对用位移表达的运动平衡方程作了简化．利用算子理论，严格地导出了横观各向同性非耦合热弹性动力学问题的通解．对于静力学问题，通解的形式可进一步简化成用4个准调和函数来表示．具体考察了横观各向同性体内平面裂纹上下表面有对称分布温度作用的问题，推广了势理论方法，导出了一个积分方程和一个微分-积分方程．针对币状裂纹表面受均布温度作用情形，给出了具体的解。     

应用优化技术计算船舶斜浪中的扭矩外力

 从实用角度出发，应用优化技术，确定船舶斜浪中的平衡浮 态，在传统方法基础上更接近实际状态. 提出了一种船舶斜置于波 浪上的外力计算方法，编制了计算机程序. 另外，特别针对大开口 船舶其剖面扭心在基线以下的特点，计及了左右舷不对称横向力对 扭矩的贡献.     

Theoretical Study of Small Water Clusters of Sulfur Dioxide

The intermolecular clusters of sulfur dioxide with water, SO2(H2O)n (n = 2～5), are studied by using B3LYP density functional theory and MP2 ab initio methods along with the large basis sets (6-311++G(d,p) and aug-cc-pVDZ). The equilibrium geometries, intermolecular binding energies, and anharmonic frequencies of the clusters are calculated and compared with those of pure water clusters and available experiments. SO2 tends to form cyclic hydrogen-bonded complexes with two or three water molecules. In the larger clusters, however, water molecules begin to retain the structure of pure water clusters and segregate from SO2. Infrared absorption assignments for the small clusters are discussed to resolve a possible incorrect assignment in a recent spectroscopic experiment on the clusters.     

Theoretical Study on the Adsorption and Decomposition of Methanol over the Pt-Mo（111）/C Surface

The density functional theory(DFT) and self-consistent periodic calculation were used to investigate the methanol adsorption on the Pt-Mo(111)/C surface.The adsorption energies,equilibrium geometries and vibration frequencies of CH3OH on nine types of sites on the Pt-Mo(111)/C surface were predicted and the favorite adsorption site for methanol is the top-Pt site.Both sites of valence and conduction bands of doped system have been broadened,which are favorable for electrons to transfer to the cavity.The possible decomposition pathway was investigated with transition state searching and the calculation results indicate that the O-H bond is first broken,and then the methanol decomposes into methoxy.The activation barrier of O-H bond breaking with Pt-Mo catalyst is only 104.8 kJ mol-1,showing that carbon supported Pt-Mo alloys have promoted the decomposition of methanol.Comparing with the adsorption energies of CH3OH on the Pt(111)/C surface and that of CO,the adsorption energies of CO are higher,and Pt(111)/C is liable to be oxidized and loses the activity,which suggests that the catalyst Pt-Mo(111)/C is in favor of decomposing methanol and has better anti-poisoning ability than Pt(111)/C.