钾明矾蓄热性能的研究与改善

钾明矾(KAl(SO4)2·12H2O)有较高的潜热和良好的导热性(熔化热232.4kJ/kg,导热系数为0.55W/m·K),熔点为91℃,是中低温相变材料中较有开发价值的一种.但是它的过冷度高达19.8℃,并且由于相变过程伴随着结晶水的蒸发使无机盐的使用寿命大大降低.本文通过冷指法及添加成核剂的方法对硫酸铝钾的过冷现象进行了研究,结果表明成核剂NiSO4·6H2O、MgCl2·6H2O能较好的改善过冷现象,当MgCl2·6H2O的添加量为2;时可使过冷度降为零,且能保持钾明矾的相变温度而不使其降低.利用MgCl2·6H2O具有很强的吸湿性,可以补充相变过程中损失的水分,使相变材料的使用寿命大大提高.     

Preliminary study on CAD-based method of characteristics for neutron transport calculation

Our new method makes use of a CAD-based automatic modeling tool, MCAM, for geometry modeling and ray tracing of particle transport in method of characteristics (MOC). It was found that it could considerably enhance the capability of MOC to deal with more complicated models for neutron transport calculation. In our study, the diamond-difference scheme was applied to MOC to reduce the spatial discretization errors of the flat flux approximation. Based on MCAM and MOC, a new 2D MOC code was developed and integrated into the SuperMC system, which is a Super Multi-function Computational system for neutronics and radiation simulation. The numerical results demonstrated the feasibility and effectiveness of the new method for neutron transport calculation in MOC.     

Preliminary study on CAD-based method of characteristics for neutron transport calculation

Our new method makes use of a CAD-based automatic modeling tool, MCAM, for geometry modeling and ray tracing of particle transport in method of characteristics （MOC）. It was found that it could considerably enhance the capability of MOC to deal with more complicated models for neutron transport calculation. In our study, the diamond-difference scheme was applied to MOC to reduce the spatial discretization errors of the fiat flux approximation. Based on MCAM and MOC, a new 2D MOC code was developed and integrated into the SuperMC system, which is a Super Multi-function Computational system for neutronics and radiation simulation. The numerical results demonstrated the feasibility and effectiveness of the new method for neutron transport calculation in MOC.     

钾明矾/纤维多孔陶瓷基复合蓄热材料的制备工艺优化

本文以纤维多孔陶瓷为基体,无机水合盐为相变材料,熔融浸渍法制备了复合蓄热材料.通过对制备工艺的优化,得出浸渍方式为完全浸渍,浸渍温度为98 ℃,浸渍时间为12 min的条件下制备出蓄热性能良好的复合蓄热材料,浸渍率高达83.17;.     

基于VENUS-Ⅱ基准模型的SuperMC程序验证

为了验证SuperMC软件系统对装载MOX燃料压水堆的临界计算能力，采用国际经合组织核能署(OECD/NEA)2001年发布的三维VENUS-Ⅱ国际基准模型对SuperMC3.1版本进行了测试验证。本次测试包括栅元和堆芯两个部分，分别计算了栅元无限增殖因数、重核反应率、堆芯有效增殖因数、堆芯轴向裂变反应率等关键物理参数。将SuperMC计算结果与基准模型实验测量值以及MCNP计算值作了对比。结果显示:在测试范围内，SuperMC计算值与参考值吻合得较好，表明SuperMC可应用于含MOX燃料堆芯的临界计算。     

几种新型六氮杂异伍兹烷衍生物结构与性能的理论预测—— 高能量密度化合物的寻求

以CN, NC, ONO2, N3, NH2, N2H, NHNH2, N4H和N4H3 9种含氮高能基团为取代基, 分别取代2,4,6,8,10,12-六氮杂异伍兹烷(IW)中亚氨基的6个H原子所形成的9种六氮杂异伍兹烷衍生物作为研究目标分子. 运用密度泛函理论, 在B3LYP/6-31G**水平上求得了它们的分子几何构型、电子结构、解离能(BDE)及IR谱等信息, 并设计等键反应计算了生成热( ). 基于统计热力学原理计算拟合了100～1200 K温度范围内体系的热力学函数, 利用Kamlet-Jacobs方程估算了它们的爆轰性能. 研究结果表明, 9种六氮杂异伍兹烷衍生物存在两种可能的热解引发类型. 在衍生物HNiIW, HBDAIW和HBAIW中, 可能的热解引发键是取代基内部的化学键, 而其余衍生物的热解引发键则可能是骨架N与取代基R之间N—R键. 另外, 硝酸酯基(ONO2)取代所得化合物HNiIW的密度ρ、爆速D及爆压p分别为1.998 g•cm－3, 9.71 km•s－1和44.47 GPa, 完全达到高能量密度化合物(HEDC)的基本要求, 且优于已应用的HNIW, 有望成为新型的HEDC.