Electrochemical quartz crystal microbalance study of ion transport accompanying charging-discharging of poly(pyrrole) films

Electrochemical quartz crystal microbalance studies on poly(pyrrole) electrodes revealed a complex nature of the potential-dependent sorption of ionic substances. It is found that the relative contribution of anions and cations to the overall charge transport process depends upon several factors, such as the oxidation state of the polymer, the composition of the supporting electrolyte as well as on the film thickness. The phenomena observed are discussed in terms of morphological transformations arising as a result of interactions between the polymer and the mobile substances. Received: 21 August 1998 / Accepted: 21 October 1998     

Anharmonic Effects on the Thermodynamic Properties of Quartz from First Principles Calculations

The simple chemistry and structure of quartz together with its abundance in nature and its piezoelectric properties make convenient its employment for several applications, from engineering to Earth sciences. For these purposes, the quartz equations of state, thermoelastic and thermodynamic properties have been studied since decades. Alpha quartz is stable up to 2.5 GPa at room temperature where it converts to coesite, and at ambient pressure up to 847 K where it transforms to the beta phase. In particular, the displacive phase transition at 847 K at ambient pressure is driven by intrinsic anharmonicity effects (soft-mode phase transition) and its precise mechanism is difficult to be investigated experimentally. Therefore, we studied these anharmonic effects by means of ab initio calculations in the framework of the statistical thermodynamics approach. We determined the principal thermodynamic quantities accounting for the intrinsic anharmonicity and compared them against experimental data. Our results up to 700 K show a very good agreement with experiments. The same procedures and algorithms illustrated here can also be applied to determine the thermodynamic properties of other crystalline phases possibly affected by intrinsic anharmonic effects, that could partially invalidate the standard quasi-harmonic approach.     

基于CATIA二次开发的锥形石英灯加热器参数化设计

介绍了CATIA V5的几种二次开发方式。讨论了Automation API二次开发的基本原理。应用VB语言,基于CATIAAutomation技术实现了锥形石英灯辐射加热器的自动化设计,设计周期缩短,成本降低。锥形石英灯加热器参数化建模的完成为进一步实现虚拟试验提供了支持。     

北天山七角井南部石英斑岩发育特征及其找矿意义：来自综合物探测量的证据

北天山七角井南部地区位于北天山造山带博格达－哈尔里克裂谷南缘,是准噶尔－巴尔喀什火山岩型铀成矿带的重要组成部分。铀矿化主要赋存于受北东向构造控制的晚二叠世石英斑岩裂隙带中,或者石英斑岩外接触带砂岩、凝灰质砂岩中,以及断裂构造破碎蚀变带中,因此,厘定石英斑岩空间展布特征对扩大深部矿化规模具有重要意义。选择音频大地电磁测量与地面高精度磁测相结合的物探方法,对该地区的石英斑岩进行探测,采用Rubust阻抗估算技术、二维有限元差分法的电磁数值模拟技术、非线性共轭梯度法的电磁反演技术、2.5D地磁异常反演技术等进行综合研究,结合地质背景,大致查明了石英斑岩深部发育情况。研究结果表明：晚二叠世石英斑岩沿北东向断裂构造破碎带呈裂隙式侵入,呈狭长线性带状分布,自西向东,石英斑岩深部规模呈下窄上宽→下宽上窄变化的形态。受北西向构造挤压抬升作用影响较大,石英斑岩被抬升并剥蚀,西部岩体破碎更强烈。结合钻孔验证情况,分析推断铀成矿有利区有2片,为下一步铀矿勘查工作提供了依据。     

Simulation of X‐Ray Reflection Curves in Single Non‐Coplanar Geometry and Its Application

The reflection curves as measured by means of the “Ω‐Scan Method” have been simulated as exactly as possible and practicable. The contributions of the collimator function for different beam geometry and of the spectral distribution are considered. The influence of the dead time of the counting unit on the fluctuations of the used high intensities is described by computer modelling. By means of the simulated curves, the theoretical statistic errors of the method, employed to the orientation determination of quartz, can be estimated and compared to the measured ones. The statistic errors due to the intensity fluctuations were found to be dominating the measuring errors. From the simulated curves also the corrections to be applied to the measuring values of the peak positions are derived. Thus, the real physical values of the orientation coordinates can be determined.     

HF激光脉冲与水柱表面相互作用产生电信号(英文)

研究了脉冲HF激光与水柱表面相互作用下电信号的产生过程。电信号显示了与激光能量线性相关的峰值间有时间间隔的两峰结构,且第二个尖峰在水柱底部的蒸汽腔塌缩后出现。实验还显示电信号的幅值和激光脉冲照射过程中是否存在膨胀和挤压的薄水层密切相关。如果在电池上边缘和石英平板(石英板紧邻电池,并与水柱上表面相接)之间存在一薄水层,电信号强度会增加10倍。     

石英砂负载羟基磷灰石对铅镉吸附性能研究

以溶胶凝胶法制备石英砂负载羟基磷灰石,其在含Pb、Cd初始浓度为100 mg·L-1的混合溶液进行吸附试验,分别研究在不同p H、反应时间及反应温度条件下对Pb、Cd的去除效果。结果表明,复合材料能有效去除混合溶液中的Pb、Cd。p H=5时Pb去除率最大值94.5%,碱性条件下对Cd去除效果更为明显,不同离子间存在竞争关系;反应前30 min,二者去除率均随时间增加而迅速递增;复合材料吸附Pb、Cd更符合准二级动力学模型;高温条件下有利于吸附反应的进行。     

石英玻璃圆环高速膨胀碎裂过程的离散元模拟

采用离散元算法模拟了石英玻璃圆环受到外加动态载荷时的力学行为. 首先基于flat-jointed粘结模型,通过标准的单轴拉压、三点弯曲等数值实验来标定了石英玻璃的微观参数. 在此模型基础上,数值模拟再现了石英玻璃圆环在不同应变率下的膨胀碎裂过程. 为定量分析数值模拟结果,需要准确确定圆环的碎裂发生时刻. 模拟发现:伴随着石英玻璃圆环的断裂,圆环外表面粒子径向膨胀速度的时程曲线会发生突然升高然后下降的跳动;详细分析表明,这种跳动源自周向的脆性断裂诱发的卸载波(周向拉伸应力急剧下降)以及伴随而来的泊松膨胀,这种径向速度跳动现象为实验中检测脆性断裂发生时刻提供了可能. 进一步的数值研究表明:(1)石英玻璃圆环的断裂应变随着应变率的提高而增大,与韧性金属材料的膨胀环实验结果一致;(2)石英玻璃圆环的碎片平均质量随着应变率的增大而减小;(3)数值计算获得的碎片平均尺寸与已有的理论和实验结果比较吻合. 利用液压膨胀环实验装置对石英玻璃圆环进行了验证性实验,回收得到的碎片形貌及碎片个数与数值模拟的结果基本一致.      

胺类捕收剂在石英表面吸附的定量构效关系

为深入研究胺类阳离子捕收剂在石英表面吸附能与其结构之间的关系,基于遗传算法构建了20种胺类捕收剂在石英表面吸附能与其结构参数之间的定量构效关系模型,得到了模型的相关系数R²=0.969,调整系数R²_ad=0.964,交叉验证系数R²_cv=0.955,显著值F=168.429,表明模型预测结果与模拟计算值拟合较好.四种未参与建模的阳离子捕收剂对所构建模型外部检验结果误差不超过5%,证明模型具有较好的预测性,能够较好预测胺类捕收剂在石英表面的吸附能.     

利用EQCM研究铅电极在硫酸和硫酸钠溶液中的反应机理

使用电化学线性扫描伏安(LSV)、循环伏安(CV)和电化学石英晶体微天平(EQCM)方法研究了硫酸和硫酸钠溶液中铅电极表面的反应过程. 伏安曲线和电极表面质量变化结果分析表明,从-1.0 V到-0.4 V正向扫描时,铅在硫酸溶液中生成两种氧化产物,在-0.87 V时生成硫酸铅,在-0.73 V时生成PbO·PbSO₄,然后PbO·PbSO₄转化成硫酸铅,而铅在硫酸钠中的氧化产物只有硫酸铅. 因此,酸性溶液是PbO·PbSO₄形成的必要条件,这进一步揭示了铅酸电池的负极放电机理,也为铅酸电池负极反应过程提供了新的研究方法.