Relative stability of the2 A 1g and2 E g states of the C2H 6 + ion

Anab initio study of the relative stability for the states² A _1g and² E _g of C₂H ₆ ⁺ has been carried out. The results of the Open Shell Restricted Hartree-Fock calculations lead to assign the² A _{1 g} as the ground state of the molecule in agreement with previous SCF calculations.The correlation energy associated to both states has been calculated within the correlation hole model and the results, contrary to those obtained from Configuration Interaction calculations, do not alter qualitatively the conclusions from SCF.     

pH值对KDP晶体中散射颗粒的影响

探讨了不同pH值对KDP晶体散射颗粒的影响。结果表明,不同pH值生长条件下生长的KDP晶体中散射颗粒的尺寸、密度呈现明显差异,pH值为5.5条件下KDP晶体中散射颗粒尺寸明显变大,分布稀疏;pH值为2.0时,散射颗粒密度高,尺寸小。其原因在于形成散射的杂质颗粒的存在形式不同。     

水体中甲基叔丁基醚(MTBE)的植物修复

研究凤眼莲对水体中甲基叔丁基醚(MTBE)的吸收转移规律和富集特征. 结果表明: 胁迫5 d后, 处理Ⅰ(整株凤眼莲)中MTBE的平均浓度减少了94.25%, 处理Ⅱ(去叶凤眼莲)中MTBE的平均浓度减少了近50%, 处理Ⅰ比处理Ⅱ约减少44%, 而处理Ⅲ（对照）中MTBE的平均浓度只减少7.3%, 表明凤眼莲叶片的蒸腾作用是水溶液中MTBE减少的主要原因. 将实验所得数据进行回归分析得出： 20 ℃时, 水体中MTBE消失符合一级动 力学方程； 处理Ⅰ、 处理Ⅱ的消失速率明显大于处理Ⅲ. 凤眼莲暴露在ρ_MTBE<1 110 mg/L溶液中时, 培养5 d未观察到MTBE对植物的毒性, 蒸腾量与生物量比值变化不明显,当ρ_MTBE=1 480 mg/L时, 凤眼莲的蒸腾量与生物量比值明显减小, 凤眼莲叶片边缘干枯和萎黄. MTBE在凤眼莲根、 茎、 叶中的分布比例约为1 ∶1.5 ∶0.5, 其分布规律为： 茎>根>叶.     

Computation of Dispersion in Microstrip Line with Anisotropic Substrate and Overlay

This paper presents an analysis of frequency dependent propagation characteristics of microstrip lines with anisotropic substrate and overlay. The method involves setting up of the Greenph07t7085m3m/xxlarge8217.gif" alt="rsquo" align="BASELINE" BORDER="0">s functions corresponding to the structure and formulating a dispersion relation in Fourier transform domain. The dispersion relation is constructed in a Galerkinph07t7085m3m/xxlarge8217.gif" alt="rsquo" align="BASELINE" BORDER="0">s procedure. Numerical results are also presented.     

多壁碳纳米管膜湿敏特性的研究

研究了多壁碳纳米管(MWNTs)薄膜的湿敏特性，实验所用的多壁碳纳米管是用热灯丝化学气相沉积法(CVD)合成的.分别对未修饰和修饰的多壁碳纳米管膜温度和湿度特性进行研究后发现，修饰的多壁碳纳米管对温度和湿度非常敏感，且对湿度的响应时间和恢复时间短，重复性好.而未修饰的多壁碳纳米管对温度和湿度不太敏感.对修饰多壁碳纳米管的湿敏特性进行了理论分析，给出了其理论表示式. 关键词： 多壁碳纳米管 化学修饰 湿敏特性 物理吸附     

铜在3%NaCl溶液中腐蚀行为的光电化学研究

Cu以其优异的导电性、导热性和易加工性广泛用于工农业生产中．自然Cu的腐蚀和防腐成为人们很关注的问题．人们已经注意到，Cl-对Cu的腐蚀有影响，并进行过一些研究．但目前使用光电化学方法研究这一问题的文章尚不多见，特别是利用测量开路光电压及其瞬态波形这一现场的、无损的、灵敏的监测方法研究户对Cu电极腐蚀全过程的文章尚未见到．本文正是利用如上方法及XPS，AES方法，研究了Cl-对Cu电极腐蚀的全过程，取得了一些有意义的结果．1实验方法Cu电极用99．99％（质量分数）的Cu制成，面积约为39mm2；电极底部由Cu导线焊接引出，…     

Effect of BaO on the crystallization kinetics of glasses along the Diopside-Ca-Tschermak join

We report on the effect of BaO on the crystallization kinetics of glasses in the diopside (CaMgSi₂O₆)-Ca-Tschermak (CaAl₂SiO₆) system. Partial substitution (i.e. 5%, 10% and 20%) of Ba²⁺ for Ca²⁺ was attempted in composition CaMg_0.8Al_0.4Si_1.8O₆, in three different glasses while partial substitution of B³⁺ for Al³⁺ was made in the fourth glass. Structural investigations on the glasses have been made by density measurements, molar volume and Infra-red spectroscopy (FTIR). Non-isothermal crystallization kinetic studies have been employed to study the mechanism of crystallization in all the four glasses. The Avrami parameter for the glass powders is ∼2, indicating the existence of intermediate mechanism of crystallization. Crystallization sequence in the glasses has been followed by X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM) and FTIR. Augite crystallized out being the dominant phase in all the glass-ceramics, while different polymorphs of BaAl₂Si₂O8 were present as secondary or minor phases.     

模拟退火优化BP神经网络进行云相态分类

为利用中分辨率成像光谱仪(MODIS)多通道云图数据对云相态进行分类,提出了一种利用云图红外、可见光谱段数据,基于SABP神经网络的云相态分类算法.算法基于BP人工神经网络学习算法及模拟退火算法.在两算法结合的基础上,作出了有益于云相态分类的改进.基准网络模型为3层前馈BP网络,其中,隐层和输出层使用不同的激活函数.选取了5种光谱特征作为网络输入,输出两单元判定结果.为加速收敛速度,避免振荡,采用了一种自适应的变学习系数、惯性系数策略.个例分析表明,算法在中低纬度地区效果良好.     

压电体超晶格中的新型极化激元

对压电体超晶格中电磁波的传播情况进行了研究，通过压电效应，压电体超晶格中的纵振动声波将引起横向电极化，这一极化会与某一特定波段的电磁波强烈耦合，从而出现通常离子晶体中所没有的新型极化激元，产生非布拉格反射引起的光学禁带。