镁改型蛭石对铵离子的交换性能

对经人工改型所得的镁型蛭石进行了铵离子交换性能的研究．在不同pH值下测定了镁型蛭石对NHr的全交换容量，在不同温度下测定了样品的平衡等温线．结果表明，镁型蛭石对NH4^ 的交换总量随pH值的变化而波动，在pH值为7时其交换总量为59．32mmol／100g，其选择性随温度的降低而升高，这为蛭石作为一种新型填料提供了一定的理论依据。     

中国B2c电子商务的发展现状分析

中国电子商务发展之快让大多数中国人感觉应接不暇。在还没有清楚的认识电子商务是怎么一回事的情况下，电子商务的发展已经一日千里。尤其是B2C电子商务的发展更是迅猛，让人不得不疑惑，如何才能跟得上电子商务发展。怎样做才不会落伍。本文全程展示B2C电子商务的发展之路，来对B2C电子商务有个基本的认识。     

从CET-4新题型看大学英语词汇教学

本文结合最新的四级题型,分析了大学英语新四级考试中词汇的测试特点,对大学英语词汇教学提出了一些有效的教学方法.     

包含式完全正则(T*3(1/2))是相对可乘的

本文讨论包含式完全正则空间（T31/2^＊）关于相对积拓扑的可乘性问题．     

几类完全4-部图的邻强边染色

得到了几类完全4-部图的邻强边色数.     

多巴胺能神经递质系统在癫痫发生与发展过程中的作用

在癫痫的发生与发展过程中，多巴胺（DA）受体密度及PDA可以发生改变，其变化情况因癫痫类型及不同脑区而异。不同的DA受体在癫痫发生与发展过程中发挥不同的作用，其作用也与癫痫类型等因素有关。     

1-(6-硝基-2-苯并噻唑)-3-(4-硝基苯)-三氮烯与镍显色反应的研究及应用

在TritonX-100表面活性剂存在下,研究了1-(6-硝基-2-苯并噻唑)-3-(4-硝基苯)-三氮烯(NBTNPT)与镍的显色反应.在pH为10.0～11.5的Na2B4O7-NaOH缓冲溶液中,该试剂与镍生成2∶1配合物.以500nm为参比波长,440nm为测定波长的双峰双波长进行测定,表观摩尔吸光系数为1.84×105L·mol-1·cm-1.Ni2+的浓度在0～280μg/L内符合比耳定律.用拟定方法测定钢铁中的微量镍,结果满意.     

城市污染源S0_2扩散规律研究

通过剖析几种常用大气污染物扩散模式,选取合适的大气扩散场参数,建立了适用于郑州市区的污染源SO2扩散模式。用该模式计算市区重点污染源典型月所排SO2浓度,其结果与实际监测结果进行对比分析,对比结果表明,在采暖期和非采暖期两个典型月的相关系数分别为0.727和0.713,达到显著水平。     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.