H2、O2与Pd反应的平衡压力研究

基于电子与核振动近似方法,应用密度泛函B3P86方法和相对论有效核势SDD计算,结合统计热力学方法, 研究了100K～1000K温度范围内Pd与H2、O2反应的标准生成热力学函数以及反应平衡压力与温度的关系. 结果表明：Pd与H2、O2反应是放热反应,Pd原子吸附H2的放热量大于吸附O2的放热量,温度升高不利于吸附反应进行;Pd对O2的自发吸附温度很低,室温下几乎不能进行,而对H2的自发吸附温度可高达500K以上;在100K~284.394K可自发吸附O2和H2的温度范围内,O2的反应平衡压力比H2的平衡压力高出9~18个数量级. 因此,O2作为杂质气体对目标反应Pd-H2的影响非常有限.     

嵌入式Linux在S3C2440上的移植

本文描述了将Linux移植到基于S3C2440处理器的目标板上的方法与过程。首先介绍了如何搭建嵌入式交叉编译环境,然后着重讨论了在该开发板上bootloader的设计实现以及Linux内核的移植的方法。     

漠阳江水环境质量现状分析

为保护漠阳江水环境和保护饮用水源,对漠阳江水质基本情况展开调查,摸清漠阳江及其主要支流水环境质量现状。调查发现,漠阳江源头水质较好,但随着漠阳江经阳春城区和阳江城区后,水质有所恶化。分析原因,漠阳江目前最主要的污染源为生活污水。针对该情况,本文提出了漠阳江整治的相应建议。     

Seasonal variations and environmental controls on stalagmite calcite crystal growth in Heshang Cave,central China

Stalagmite growth rates are usually considered to reflect changes in paleoclimate and paleoenvironment. However, how exactly growth rates are affected by climate and environment is still unclear. We launched a monitoring and modeling program that lasted approximately 4 years on two active drip sites in Heshang Cave, central China. We collected comprehensive quantitative data on growth rates, cave temperature, CO₂ concentration, drip rate and drip-water chemistry to better understand the relationship between stalagmite growth and cave environment. By laying out glass substrates, we successfully grew stalagmite calcite crystals with rhombic characteristics, and quantified growth rates by measuring the long and short axes of calcite crystals under a microscope. Combined with coeval environmental data, we explicitly examined the roles of cave temperature, drip rate and drip-water chemistry in controlling the micro-scale growth of stalagmite calcite. Results show that growth of stalagmite calcite crystals at two drip sites exhibited similar seasonal variations − generally faster in the summer months, at ∼3 μm d⁻¹, and slower during the late winter to early spring, at ∼1.5 μm d⁻¹. Variations in calcite growth rates were mainly determined by changes in cave temperature, with the growth rate increasing by 8.1%/°C and 6.6%/°C at the two locations. This indicates the potential use of stalagmite growth rates as a seasonal-resolution paleo-temperature proxy in some ventilated caves. On the other hand, the effect of drip rate and drip-water Ca²⁺ and SIC values on growth rates were not significant.     

PtCO分子结构与解析势能函数

用密度泛函理论的B3P86方法,对铂原子采用LANL2DZ收缩价基函数,碳原子和氧原子采用6-311G* 基组,对PtC,PtO和PtCO体系的结构进行优化,计算表明：PtC分子基态为1+态,键长为Re=0.16844nm,离解能为6.23725eV. PtO分子基态的平衡核间距为0.17486nm,其电子态为3-,离解能为3.84565eV,拟合得到Murrell-Sorbie势能函数;PtCO分子有两个线性稳定构型,其中一个构型为Pt-C≡O (C∞v),电子态为1+,平衡核间距为RPtC=0.17672nm,RCO=0.11464nm,离解能为14.46769 eV,另一个为Pt-O≡C (C∞v),电子态是1+,平衡核间距为RCO=0.11243nm,RPtO=0.21886nm,离解能为11.26729eV. 由微观过程的可逆性原理分析了分子的可能的离解极限,并用多体展式理论导出基态PtCO分子的势能函数,其等势面图准确地再现了PtCO分子的结构特征和离解能,由此讨论了Pt+CO, PtC+O, PtO+C分子反应的势能面静态特征.     

Near-field coupling and SERS effects of palladium nanoparticle dimers

The linear optical properties and the surface-enhanced Raman scattering (SERS) effect of spherical palladium nanoparticle dimers are analyzed theoretically using generalized Mie theory. The calculation results demonstrate that the near-field coupling effect greatly influences the absorption, scattering and extinction spectra of nanoparticle dimers. The surface plasmon resonance wavelength red-shifts dramatically as the separation between nanoparticles decreases. Because of the near-field coupling between nanoparticles and the size effect, the maximum SERS enhancement factor at the ‘hot spot’ between palladium nanoparticle dimers is as high as 10⁷–10⁸, while the averaged SERS enhancement factor over the entire nanoparticle surface is in the range of 10⁵–10⁶. The deviation between the position of the peak in the extinction spectrum and the wavelength for maximum surface-averaged enhancement for the Pd nanoparticle dimers indicates that localized surface plasmon resonance has different influences on the far and near fields. These theoretical results may help to reveal the relationship between the far and near fields, as well as understand the mechanism of electromagnetic enhancement in the surface-enhanced scattering of transition metals.     

充气钻井环空弹状流稳态流动模型与实例验证

国内外针对弹状流(段塞流)管流的力学模型研究很少,且计算误差较大,无法应用于钻井工程。为此,针对充气钻井开展环空气液弹状流稳态力学模型研究,可准确预测和设计井筒流体参数。首先,借鉴国外研究成果,对钻井气液两相管流型态进行描述分析,推导出环空弹状流与泡状流的转换判别关系式,认为环空充气钻井液主要出现泡状流和弹状流两种流型,且充气钻井井深小于300 m的环空内为弹状流。然后,建立环空弹状流单元的物理模型,并对其流动参数进行解析计算。依据管流机械能守恒定律,建立充气钻井环空弹状流稳态力学模型,并给出数值解法。通过两井连通充气钻水平井(DNP02井)的实钻模拟,计算出的环空流动参数与现场实测数据非常吻合,误差小于5%。证实模型的理论体系完整,计算结果满足钻井工程需求,具有很好的通用性。     

基于MCS的多状态复杂系统可靠性评估

同时考虑了部件选择性失效传播引起的共因失效以及系统的不完全保护,提出了一种面向多状态复杂系统的基于蒙特卡洛模拟(MCS)的可靠性评估算法.传统方法只能解决可以转化为串、并联结构的简单系统的可靠性评估问题,而本文提出的算法打破了这种限制,使得其应用范围更加广泛.最后,通过两个示例说明了算法的有效性以及其因失效与不完全保护对系统可靠性的影响.     

不同自然盐渍生境下盐地碱蓬叶片色素积累及光合特性的研究

本文以黄河三角洲内地重盐碱地和海边潮间带两种乍境下的盐地碱蓬为材料,比较不同生境对盐地碱蓬色素积累和相关光合指标的影响.结果表明:海边生境的盐地碱蓬叶片中甜菜红素的含量显著高于内地生境条件下的,而叶绿素a、叶绿素b的含量显著低于内地生境条件下的.内地生境盐地碱蓬功能叶片净光合速率,Fu/Fm,ΦPSⅡ均显著高于海边生境的功能叶片.说明海边生境的盐地碱蓬可能通过调节叶片中不同色素的含量,改变光合特性,适应综合逆境.     

从碱性腐蚀液中回收锗的实验探究

用沉淀法将碱性腐蚀液中的锗进行沉淀富集回收,对锗回收的适宜的实验条件进行实验探究.讨论了沉淀剂种类及用量,实验温度,碱性腐蚀液的pH值,沉淀时间等因素对锗的回收率的影响.结果表明:在常温下,以FeCl3 为沉淀剂,碱性腐蚀液的起始pH值为6.5,沉淀时间为90 min时,锗的回收率达到了80%以上.