合并式电离—复合反应的DSMC模拟

采用ＤＳＭＣ方法研究分子碰撞反应机理,在分析水平上模拟绝热封闭体系事并式电离－复合反应的驰豫过程。     

Absorption and vibrational spectra of methylamine and its ions using quantum chemical methods

We present vibrational spectra of methylamine and its ions using the MP2 method and absorption spectra using time dependent density functional method. On the basis of these calculations electronic transitions of methylamine were successfully determined. We also have derived electron affinity and ionization potential for methylamine. The ionization potential 8.98 eV from this work is in excellent agreement with the experimental value of 9.04 eV. We found that like neutral methylamine, its cation also displays strong σ → σ∗ electronic transitions in the vacuum UV region whereas its anion shows strong electronic transitions in both the vacuum and far UV regions. The detection of methylamine in astronomical objects may benefit greatly from the accurate new data on its far-UV and near-IR lines.     

Numerical simulation of hypersonic thermochemical nonequilibrium flows using nonlinear coupled constitutive relations

To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect, a Nonlinear Coupled Constitutive Relations (NCCR) model coupled with Gupta’s chemical models and Park’s two-temperature model is firstly proposed in this paper. Three typical cases are intensively investigated for further validation, including hypersonic flows over a two-dimensional cylinder, a RAM-C II flight vehicle and a type HTV-2 flight vehicle. The results predicted by NCCR solution, such as heat flux coefficient and electron number densities, are in better agreement with those of direct simulation Monte Carlo or flight data than Navier-Stokes equations, especially in the extremely nonequilibrium regions, which indicates the potential of the newly-developed solution to capture both thermochemical and rarefied nonequilibrium effects. The comparisons between the present solver and NCCR model without a two-temperature model are also conducted to demonstrate the significance of vibrational energy source term in the accurate simulation of high-Mach flows.     

有烧蚀气体产物影响的化学非平衡粘性流数值计算研究

本文是针对高超声速绕流钝锥体再入飞行器，研究有烧蚀气体产物影响的化学非平衡反应粘性流ＮＳ方程数值计算方法。通过带有化学源项的ＮＳ方程对流动作数值模拟，总的连续方程由单个组元守恒方程组代替。对１３个化学组元，２６个气相化学反应，以及２个气相－固相化学反应，研究烧烛碳－空气的化学反应系统，并与纯空气化学反应系统的计算结果进行比较。利用二阶迎风ＴＶＤ差分格式和激波捕捉法，计算球锥体头部和身部化学非平衡粘性流场     

空问化学推进技术的发展

空间化学推进技术包括双组元推进、单组元推进和微推进技术。双组元推进技术的发展，一方面依赖于采用高能推进剂和提高燃烧室压力，另一方面依赖于推进剂提高密度、降低毒性和降低冰点。硝酸羟铵基单组元推进剂密度比无水肼大40％，蒸汽无毒，冰点低于-20℃，有望取代无水肼。现在比较成熟的两个配方硝酸羟铵-甘氨酸-水体系和硝酸羟铵-甲醇-水体系。纳米卫星则需要从微牛级到毫牛级推力的微推进技术。     

4211环氧树脂体系性能研究

对4211环氧树脂体系的化学性能和物理性能进行系统的研究,通过差示扫描量热仪(DSC)测试固化反应特性,利用流变仪分析成型工艺特性,通过动态热机械分析(DMA)研究树脂体系在不同固化工艺下的耐热性能,并通过力学试验机测试固化后树脂体系的力学性能.结果表明:4211环氧树脂体系具有较好的工艺性,固化物具有较高的耐热性能,表现为刚脆特性,断裂伸长率为1.1％;与M40高模量碳纤维的匹配性较好.     

气动物理地面模拟试验相似律

依据流动子过程特征量分析方法 ,导出了高超声速化学反应流动的相似律。将得到的相似律应用于气动物理地面模拟试验 ,给出了确定地面模拟试验条件的相似准则 ,分析了地面模拟试验中需要进一步解决的其它基础理论问题。     

壁面非平衡复相催化反应及其对传热的影响

本文在理想吸附层假定下对两种常见的复相催化反应模型导出了反应速度表达式，分析了反应级数的变化规律和范围，采用新定义的“壁面催化非平衡系数”作为表征壁面非平衡催化工况的准参则数，用粘性激波层法计算分析了壁面非平衡催化效应对驻点区壁面热流的影响规律。     

化学计量建立计量标准有关问题的探讨

探讨了化学计量建立计量标准的有关问题，并提出了自己的建议。