碱金属醇盐甲醇羰基化催化剂活性研究

利用红外、气相色谱、色谱－质谱联用方法对甲醇羰基化反应过程中甲醇钾和甲醇钠催化剂的失活情况进行了研究。结果表明：在本研究条件下,甲醇钠（甲醇钾）催化剂活性在保持一段时间的稳定后,随反应时间的继续延长逐渐降低。导致催化剂活性降低的主要原因是甲醇钠（甲醇钾）可以直接与产物甲酸甲酯反应形成甲酸钠（甲酸钾）和二甲醚。甲酸钠对甲醇羰基化反应也具有一定的催化作用,但其活性远远低于甲醇钠。降低瓜在温度可以减缓催     

Study of top and bottom contact resistance in one organic field-effect transistor

This paper reports that the organic field-effect transistors with hybrid contact geometry were fabricated, in which the top electrodes and the bottom electrodes were combined in parallel resistances within one transistor. With the facility of the novel structure, the difference of contact resistance between the top contact geometry and the bottom contact geometry was studied. The hybrid contact devices showed similar characteristics with the top contact configuration devices, which provide helpful evidence on the lower contact resistance of the top contact configuration device. The origin of the different contact resistance between the top contact device and the bottom contact device was discussed.     

交联羧甲基壳聚糖微球的制备及其对Pb2+的吸附性能

交联羧甲基壳聚糖微球的制备及其对Pb2+的吸附性能     

Average mutual information of the random block-message ensembles for many-letters

By making use of the theoretical framework presented by Bostroem(K.J.Bostroem,LANL quant-ph/0009052),we generalize the standard quantum information theory of block messages with fixed block length to the variable one.We show that the states belonging to a sufficiently large hilbert space are the highly distinguishable states.We also consider the collection states (product states of more than one qubit state) and seek a “pretty good measurement” (PGM) with measurement vectors to improve the mutual information.The average mutual information over random block-message ensembles with variable block length n is discussed in detail.     

数学竞赛中条件最值的求法

函数的条件最值问题,一般来说难度比较大,且解法比较灵活,因而是竞赛命题的热点之一．本文将其解法介绍如下．     

第一过渡金属酞菁分子的电子结构的第一性原理计算

对第一过渡金属酞菁化合物(Metal Phthalocyanine,MPc,M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni和Cu)的电子结构和基本物理化学性质进行了第一性原理计算.理论模拟出来的STM图像表现出亚分子结构,与已有的实验观察结果相当吻合,且跟金属原子的d电子组态明显有关.在小偏压条件下,第一过渡金属首尾端ScPc,NiPc和CuPc分子的中央金属离子在STM图像表现为空洞,其他所有金属酞菁分子的中央金属离子均为亮斑.同时还研究了ScPc和NiPc分子的STM图像与偏压的关系,当针尖偏压分别 关键词： STM图像模拟 金属酞菁 电子结构     

轴对称射流气动声场的数值模拟

构造了Kirchhoff积分和CFD计算相结合的算法,采用高精度差分格式对不同喷口马赫数的轴对称射流进行数值模拟,并以此作为近场声源,运用Kirchhoff积分方法研究远场气动噪声.数值结果表明,远场噪声具有方向性,噪声声压在离开对称轴20°处达到最大值.随着传播距离增大,噪声方向性逐渐减弱.     

中药白茅根中金属元素的含量测定

火焰原子吸收光谱法测定中草药白茅根茎部的Fe、Cu、Zn、Mn、Ca、Mg,方法简单、精密度好、回收率在92.0%-104.4%之间,相对标准偏差(RSD)小于1.8%,结果令人满意.     

纳米孔壁面作用对蛋白质过孔影响的粗粒化分子动力学模拟

基于粗粒化分子动力学方法模拟电驱动蛋白质过孔过程,研究纳米孔-水/纳米孔-蛋白质相互作用对电泳迁移率的影响;用操控式分子动力学模拟分析蛋白质在不同相互作用下过孔摩擦系数和摩擦阻力.研究发现：蛋白质黏附纳米孔壁面对其过孔特性影响并不明显,而纳米孔-水相互作用对蛋白质过孔电泳迁移率和摩擦系数影响较大.随纳米孔-水相互作用增强,纳米孔壁面与蛋白质附近水分子运动差异显现,蛋白质过孔摩擦阻力显著增大,过孔摩擦系数随之增大,进而影响蛋白质过孔电泳迁移率.所得结果可为纳米孔材料设计提供理论指导.     

A reconfigurable terahertz polarization converter based on metal–graphene hybrid metasurface

A metal-graphene hybrid metasurface polarization converter is designed in this Letter.The unit cell of the hybrid metasurface is composed of a butterfly-shaped structure whose branches are connected by multi-layer graphene sheets.The proposed device can be reconfigured from linear-to-circular polarization to cross-polarization by changing the Fermi energy of graphene.The simulation results show that for three-layer graphene,the device acts as a linear-to-circular polarization converter when EF=0 eV and switches to a cross-polarization converter when EF=0.5 eV.Compared with single-layer graphene,the device with three-layer graphene can maintain the cross-polarization conversion performance under low Fermi energy.Furthermore,two equivalent circuits in the x and y directions are developed to understand the working mechanism of the device.