JONES型电导池测量的LCR电桥等效电路选择

JONES电导池系统的交流阻抗由电极过程的相关阻抗和电极间溶液的电阻两部分组成，可用适当的等效电路模拟。采用LCR电桥测量JONES电导池中溶液的电阻时需要选择合适的等效电路为模型解析测量的交流阻抗。通过等效电路的分析发现，选择串联电路作为LCR电桥的解析等效电路测量JONES型电导池中溶液的电阻时引入的误差比并联电路小。     

一种基于氢氧反应热的催化氧气传感器

基于对氢氧反应热的测量 ,设计了1种测量气体中微量氧气含量的传感器 ,它由嵌入反应池的微型薄膜铂电阻 ,氧化锰 -钯催化剂构成 ,铂电阻构成惠斯顿电桥 ;在催化剂作用下 ,氢氧反应放热使反应池内温度升高 ,引起铂电阻值变化 ,使电桥偏移产生响应信号 ;采用直通全消耗微反应池 ,待测氧气可被完全利用 ,使用参比池和恒温装置减小环境温度和湿度波动影响 ;设计的传感器对1～1200×10 -6(w)的氧气呈线性响应 ,定量下限为1×10-6(w) ,90%信号响应时间小于5s;该传感器具有结构简单、响应迅速、灵敏度高、稳定性好等特点。     

恒电流激励的离子色谱电导检测系统

与常用的双电极,双脉冲激励方式不同,本文设计一种四电极,直流恒电流激励方式的新型离子色谱电导检测系统,有效地简化了电路结构,精确并且智能化地完成离子色谱信号的采集、放大、处理、谱图显示等功能.介绍了该检测系统的基本原理及硬件设计.实验结果表明系统运行良好,测量结果准确.     

一种快速测定一元弱酸p Ka的方法

使用有抑制电导离子色谱法对pKa＜7的几种一元弱酸的离解常数进行了快速测定研究,结果表明pKa的测量相对标准误差＜8.5%,本文还讨论了误差产生的主要原因.     

一种快速测定一元弱酸p Ka的方法

使用有抑制电导离子色谱法对pKa＜7的几种一元弱酸的离解常数进行了快速测定研究,结果表明pKa的测量相对标准误差＜8.5%,本文还讨论了误差产生的主要原因.     

Ba12Y4.67Ti8O35的交流阻抗谱和氧浓差电势测量

用高温固体合成法制备了经验分子式为Ba12Y4.67Ti8O35的导电陶瓷.利用交流阻抗谱技术、氧浓差电势测量和热电效应测量等方法表征了材料的导电性能.研究指出, 该材料是一种氧离子/空穴混合导体.在700 ℃下，材料本体的电导约为2×10－3 Ω－1•cm－1，氧离子迁移数为0.35.对700 ℃下空气、O2和N2气氛中的交流阻抗谱数据进行了等效电路拟合.拟合指出，在空气和O2气氛中，氧离子的扩散阻抗谱不能明显地观察到是因为氧离子电导通路被空穴电导短路；而在N2气氛中，阻抗谱在低频段表现出特征的扩散阻抗.     

营养液自动检测装置

本实用新型所述的营养液自动检测装置由检测器件、信号预处理电路、数据采集器、信号处理电路及其外设组成，只需测量离子选择电极及其参比电极和温度传感器输出的信号就可计算出离子浓度，可以直接在线使用。减少了硬件电路和仪表体积，经一次标定后可连续使用，操作过程亦简单方便；计算过程快速准确，滞后时间短，测量速度较快，有利于在线检测及控制。能够实现营养液浓度自动检测。并且结构简单、操作方便，设备的稳定性和可靠性好。能长期稳定的为无土栽培提供浓度有保证的营养液，为作物在最优营养环境下生长提供了保障。     

H2O-C2H5OH-MX(NaCl等)体系中离子缔合和活度

用桥式电路测定了H_2O-C_2H_5OH-NaCl体系的摩尔电导, 并用Lee-Wheaton模型回归出H_2O-C_2H_5OH-NaCl(KCl、CsCl、KBr)体系的离子缔合常数、极限摩尔电导和距离参数, 并求出缔合反应标准自由焓。结果表明离子缔合能力的顺序为Cs~+>K~+>Na~+, Cl~->Br~-, 此四种盐在乙醇中都形成溶剂分开型离子对。并用液上空间气相色谱法测定了水-乙醇-(NaCl、KCl、KBr)体系中溶剂的活度, 用改进的Pitzer-Li公式计算了此体系的活度系数, 计算时考虑了盐在低介电常数溶剂中的离子缔合, 结果表明这种处理是合适的。还表明离子缔合程度随着乙醇浓度上升而加大, 以及盐的存在对水呈盐溶效应而对乙醇呈盐析效应。     

电导法检知Pt/TiO2的晶间氢

以光沉积法将Pt高度分散地担载于TiO_2粉末上,压成直径约为16毫米,厚约0.5毫米的圆片,真空镀金使形成两个几何尺寸固定的欧姆接触点。用铂丝作测量引线,用精密自动高速平衡电导电桥(数字显示)测定了样品在室温和高温氢气氛中的电导变化。观察到Pt/TiO_2在常温下暴露于氢中可产生巨大的可逆的电导变化,而无Pt的TiO_2没     

DZS-708型多参数分析仪的研制

DZS-708型多参数分析仪是一台新颖的实验室分析仪器,具有以下特点: 1 包含离子、电导、溶解氧和温度等4种测量模块,允许同时检测上述模块的相应参数,测量电位值、pH/pX值、离子浓度、电导率、电阻率、TDS、盐度值、电极电流、溶解氧浓度、溶解氧饱和度以及温度值等;     

HEPT类化合物的QSAR研究

为定量结构／活性相关性研究提取了量子化学参数,拓扑指数Am,分子连接性指数^mxt及疏水性常数,同时应用正交变换和最佳变量子集算法（Leaps-and-Bonds)进行了变量压缩和选择,进而实施了多元回归分析,并由此结果进行了HEPT类化合物（1－[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine derivatives)的结构／活性关系的理论解释,进行了人工神经网络法对于该类化合物的活性预测,其结构明显好于多元回归法。     

Effect of the pH of the medium on the chemical shifts in the PMR spectra and on the distribution of the π-electron density

The dependence of the chemical shifts of the ring protons on the pH of the medium for a number of 4-hydroxyquinoline derivatives was studied by means of PMR spectroscopy. The dipolar and uncharged hydroxy forms exist in equilibrium in aqueous solutions. The effect of intramolecular hydrogen bonding on the character of the dependence of the chemical shift on the pH of the medium in the case of 3-piperidinomethyl-4-hydroxyisoquinoline was investigated. The possibility of the separate protonation of the ring nitrogen and the side-chain nitrogen in 3-piperidinomethyl-4-hydroxyisoquinoline was established. The distribution of the -electron density in 4-hydroxyisoquinoline is in good agreement with its chemical behavior.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1546–1549, November, 1971     

Effect of the pH of the medium on the chemical shifts in the PMR spectra and on the distribution of the π-electron density

The dependence of the chemical shift of the ring protons on the pH of the medium for a number of 3-hydroxyquinoline derivatives was studied by PMR spectroscopy. The regions of ionization of the molecules, which correspond to the ranges of acidic, neutral, and alkaline media, were found. In D₂O, 3-hydroxyquinoline is present only in the uncharged hydroxy form. The presence of intramolecular hydrogen bonding in 4-dimethylaminomethyl-3-hydroxyquinoline has a substantial effect on the character of the dependence of the chemical shift on the pH of the medium; the existence of separate protonation of the nitrogen atoms of the ring and the side chain of 4-dimethylaminomethyl-3-hydroxyquinoline was established. The distribution of the -electron density in the 3-hydroxyquinoline molecule is in good agreement with its chemical behavior during electrophilic substitution.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1540–1545, November, 1971.     

液滴荧光传感与计算机联用技术在微量分析中的应用

通过在LS55型荧光-磷光-发光分光光度计上加装液滴产生及调节附件,采用计算机采集与分析处理数据,成功地研制了双通道液滴光化学传感装置.利用葡聚糖凝胶对复合维生素B中不同组分的选择性吸附来达到分离与同时检测的目的,并将其用于复合维生素B药片的分析,取得了满意的结果.     

On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter

The theory underlying the Car-Parrinello extended-Lagrangian approach to ab initio molecular dynamics (CPMD) is reviewed and reexamined using "heavy" ice as a test system. It is emphasized that the adiabatic decoupling in CPMD is not a decoupling of electronic orbitals from the ions but only a decoupling of a subset of the orbital vibrational modes from the rest of the necessarily coupled system of orbitals and ions. Recent work [J. Chem. Phys. 116, 14 (2002)] has pointed out that, due to the orbital-ion coupling that remains once adiabatic decoupling has been achieved, a large value of the fictitious mass mu can lead to systematic errors in the computed forces in CPMD. These errors are further investigated in the present work with a focus on those parts of these errors that are not corrected simply by rescaling the masses of the ions. It is suggested that any comparison of the efficiencies of Born-Oppenheimer molecular dynamics (BOMD) and CPMD should be performed at a similar level of accuracy. If accuracy is judged according to the average magnitude of the systematic errors in the computed forces, the efficiency of BOMD compares more favorably to that of CPMD than previous comparisons have suggested.