基于LabVIEW 7 Express的电导滴定虚拟仪器

将常规的电导率仪通过自制的调理电路连接计算机,在LabVIEW 7 Express平台上开发了电导滴定虚拟仪器,实现了电导滴定实验数据的自动记录和自动处理。将该虚拟仪器应用到多种电导滴定,实验结果的相对误差小于0.7%,大大地提高了实验结果的重现性和准确性。该虚拟仪器界面友好、操作简便,能实时绘出滴定曲线、自动处理数据及形成结果报告。     

基于LabVIEW 8.0的pH电位滴定虚拟仪器

运用离子选择性电极、调理电路、DAQ卡和计算机,构建了基于LabVIEW 8.0的电位滴定虚拟仪器,实现了电位滴定实验数据的自动记录和自动处理.将该虚拟仪器应用到乙酸等的电位滴定实验表明,实验结果相对标准偏差小于0.65%,提高了实验结果的重现性和准确性;且虚拟仪器界面友好、操作简便、实时绘出滴定曲线,自动处理数据及即时得到结果.     

LabVIEW在电导率综合检定平台的应用

采用LabVIEW图形化编程工具开发了电导率综合检测平台,该平台将多种计量仪器整合在一起,用计算机实现了检定测量工作的过程控制和数据采集的自动化.该平台以GPIB作为计算机与仪器的通讯接口,相比于其它串并口通讯,GPIB在保证高速通信的前提下,有效提高了检测平台的可靠性和稳定性.     

实时电导率法测定乙酸乙酯皂化反应速率常数

采用由电导率传感器、数据采集卡和个人计算机构成的模块化设计,以及基于LabVIEW 2013的虚拟仪器编程技术,建立了一套多通道的、并行的、实时的和自动化的电导率数据采集实验系统,使用该系统对经典的电导率法测定乙酸乙酯皂化二级反应速率常数实验进行了改革,提高了这一实验的教学效率。此项改革可以为今后其他经典化学实验改革提供参考。     

加速法测定药物有效期的虚拟仪器系统设计与应用

本文采用722S型分光光度计的串行口与计算机通信,构建了基于LabVIEW测定药物有效期的虚拟仪器系统,实现了分光光度计的时间扫描、数据储存、数据处理与结果生成等,避免了人工测定时需要多人协同操作的繁琐和人为误差,提高了测量的精确度。应用该系统测得硫酸链霉素溶液的有效期为250 min,其反应的活化能为67kJ/mol,同时在相同实验条件下,人工实验测定该硫酸链霉素溶液的有效期为231min,反应的活化能为65kJ/mol,效果良好,且该系统还具有人机对话友好、操作简单、功能易扩展等诸多优点。     

磁学测量系统的功能扩充

以磁学测量系统(magnetic property measurement system, SQUID)为主体,LabVIEW图形化编程语言为软件开发平台,利用magnetic property measurement system(MPMS)的扩展接口,由GPIB卡连接Keithley 2400源表、2182A纳伏表等测量仪表,构建实时输入测量参数、采集环境数据、直观显示测量结果的电学性能测试系统. 系统能准确控制温度、磁场,调节范围广,在温度1.9~400 K、磁场0~7 T的环境下,实现I-V曲线、电阻随温度(R-T)曲线、电阻随磁场(R-H)曲线等的电学性能测量,拓展MPMS磁学测量系统功能和应用研究领域.     

基于LabVIEW无限深势箱中粒子能级与波函数可视化程序设计

编程实现了基于LabVIEW的一维和二维无限深势箱中粒子能级与波函数的可视化程序,该程序能完成粒子量子效应图形化、实时绘制波函数、概率密度波函数及波函数概率区间的精确求解。应用表明:该基于LabVIEW的可视化程序根据势箱中粒子Schrödinger方程及其通解,将书本复杂的理论知识联系实际编程实现波函数图形化和自动完成精确计算任务,该程序改进和优化了教学方法,加强了理论学习效果,提高了教学质量;同时基于LabVIEW开发的可视化程序具有编程直观高效、界面友好、功能易扩展等优点。     

虚拟恒电位仪的研制及其在腐蚀电化学测量中的应用

恒电位仪是腐蚀电化学测量最重要的基本设备.虚拟恒电位仪用图形程序软件取代复杂硬件来实现恒电位功能.它的结构和参数灵活,构建简单,能满足多方面腐蚀电化学测试方法的需求,虚拟恒电位仪的实现是发展虚拟腐蚀电化学仪器的重要步骤.本文采用LabVIEW 2010编程系统和比例-积分-微分(PID)控制技术,研制了虚拟恒电位仪,并组建了VEC11-A腐蚀电化学测试系统,该系统能满足不同阻抗体系的腐蚀电化学测试需求.其腐蚀电位、稳态极化曲线、线性极化曲线、循环伏安、动电位扫描、恒电位阶跃等常规腐蚀电化学测量结果与2263电化学测试系统相近,能够满足常规腐蚀电化学测试要求,具有很大的发展空间.     

基于LabVIEW的氢原子及类氢原子波函数等密度线的可视化程序开发

编程实现了基于LabVIEW的氢原子及类氢原子不同能级波函数的等密度线可视化程序,该程序能自动完成波函数ψ2nlmr,θ,φ在不同角度(θ,φ)时随r变化的曲线及任意截面等密度线图的绘制。应用表明:该程序对氢原子及类氢原子波函数立体图形全局有一个非常直观的描述,能够直观地反映原子、分子的电子结构,并给出立体图不能反映的细节,有助于对化学反应过程、成键本质的理解。同时基于LabVIEW开发的可视化程序具有编程直观高效、界面友好、功能易扩展等优点。     

基于自适应蒙特卡洛法评定测量不确定度程序开发与应用

进行了基于自适应蒙特卡洛法评定测量不确定度的程序开发与应用。基于Python语言,设计开发自适应蒙特卡洛法评定测量不确定度程序,包含评定过程框架、自定义变量名称模块、过程参数关联计算模块以及蒙特卡洛法采样计算模块。程序界面简洁,操作简单,计算准确,适用于任意多个独立变量、任意多个过程参数及单一被测量的数学模型,为利用自适应蒙特卡洛法评定测量不确定度提供了方便。     

A large computer system for on-line data acquistion and analysis of data from analytical instruments

Summary Experience with a unique large dual processor system designed to acquire and analyze data from about 140 instruments in a research installation will be described. The system has been in operation for nearly 4 years serving a variety of analytical instruments including gas chromatographs, liquid chromatographs, tensile testing machines, differential thermal analyzers, and other miscellaneous instruments. The system also serves a large community of scientific time-sharing users, a substantial portion of which reduce data and carry out scientific calculations on data acquired off-line on paper or magnetic tape. Unique features of the system are long distance transmission of analog data, retention of raw data for reanalysis, post processing of data into material balance, kinetic or statistical equations, interactive graphical display of the data acquired on-line and the ability to monitor instrument performance. Another unique features is the ability to develop new analysis programs in time-sharing without fear of jeopardizing the integrity of the data collection process.     

Thermodynamic assessment of the copper-gadolinium system

The literature data on the thermodynamic properties and phase equilibria in the copper-gadolinium system were generalized. A set of thermodynamic model parameters for system phases that best described these data were obtained. The phase diagram of the system over the temperature range 300–2000 K at a pressure of 1 bar was calculated.     

Design and evaluation of a multibus-based multiprocessor system for the control of electro analytical experiments

A dual-processor system based on the multibus is described for electroanalytical measurements. Although the hardware configuration is limited, the system is effective for real-time monitoring and control and teh throughput is enhanced. Data acquisition and data processing are divided into consecutive tasks running on separate processors, so that the flexibility of data acquisition is improved. The performances of the multibus-based system and a single processor are compared.     

Data Acquisition and Transfer System for In-situ Atomic Emission Spectroscopic Analysis

A new method of data acquisition,proceeding and data share is introduced and a data acquisition and transfer system targeting in-situ spectroscopic analysis in metallurgy is established. This system is designed for the critical control of steelmaking, which greatly requires rapid and suitable information feedback. The information includes analysis data, measurement data and controls. The analysis data are acquired from the serial port of the computer-aided spectrometers or other devices and are identified, converted and then stored to the standard database in a network server. The network is based on the Intranet structure and works on the Windows NT operation system. It supports remote access and Internet connection so that the analysis data can be shared,proceeded and developed by certified personnel throughout the network. A set of specially designed data transfer devices with display panel are used in the severe places to display real-time analysis data and other information, which are offered from the nearest workstation on the network. These devices are dust-proofed and anti-magnetic. Each device offers up to 30 terminals with the limited distance of 3000 meters at 2400 baud-rates under the industrial condition. The application program for the data proceeding is integrated to the system. It includes system security, data acquisition, data transfer, data process and display. It also includes auxiliary functions such as operation help, system's resources monitoring and other customer-defined parameters. The software's functions directly related to the system are detailed discussed. Associated with another management and control software programmed for this system,the critical control of steelmaking can be approached.     

Construction of a data base for cobalt-59 nuclear magnetic resonance spectrometry

The TOOL-IR. PDB and COOD systems are compared for the construction of data bases for ⁵⁹Co-n.m.r. bibliographic and spectral data. The spectral data used are the chemical shifts from several different standards, and the line widths and coupling constants (if present). The PDB system is effective for storage and retrieval of bibliographic data, but the COOD system is better for the retrieval of spectral data, and for combination of data files on literature and chemical shifts.     

基于UWP跨平台移动式可燃气体检测报警器智能检定系统的研制

将UWP(Windows通用应用平台)技术应用于可燃气体检测报警器智能检定系统的设计,研制移动式可燃气体检测报警器智能检定系统。该系统包括移动端和PC端,移动端包括委托单信息处理、检定数据处理、数据上传、XML数据管理4个模块;PC端包括上传信息读取、委托单/证书/记录生成及打印两个模块。该系统的研制实现了检定系统在手机、平板、智能检定工作台等的跨平台应用,提高了报警器的检定效率。     

On-line storage and retrieval of chemical information. II. Substructure and biological activity searching

An improved interactive system for searching substructure and biological activity data has been developed. Features of the system include a two-level substructure search (fragment screen and atom by atom) and an expanded biological activity data base. The system operates on a file of about 150 000 compounds.     

基于化学计量学的通用化学数据采集处理系统

研制开发基于化学计量学的通用化学数据采集处理系统，该系统硬件采集部分，可与模拟信号输出的分析仪器或有RS－232接口的分析仪器联接进行数据采集，软件部分的数据处理基于化学计量学理论知识，相应数据处理方法，可从采集到数据中获取大量的信息。软件部分的信息管理包含了大量实验要素的归整、查询和统计等。     

Application of a flow-tunable, serially coupled gas chromatographic capillary column system for the analysis of complex mixtures

Summary A capillary column gas chromatographic system employing two serially coupled fused-silica columns and a simple coupling element is described. The system is operated in flow-tunable mode (flow-tunable tandem system). The very fact of continuous tuning over a large polarity (selectivity) range, ultimately determined by the two constituent columns, offers several possibilities in the analysis of complex mixtures. In this paper two applications are discussed in detail: optimization of peak separation and peak identification. For these applications it is feasible to use, retention data collected from experiments on the tandem system, and empirical formulas. A relatively simple theoretical mathematical model valid for the flow-tunable tandem system, however, furnishes an easy way of calculating retention data on the system from data collected from the individual single columns, thus, creating a new possibility for optimization and peak identification. Optimization and peak identification processes using the empirical and theoretical models are both demonstrated by analysis of solvent mixtures. Dedicated to the memory of Dr. Tibor Tóth Presented at Balaton Symposium on High-Performance Separation Methods, Siófok, Hungary, September 1–3, 1999     

Prediction of partition coefficients in ternary liquid-liquid systems as a function of the phase system composition by factor analysis for

The measured partition data of 26 steroids for six different compositions of ternary liquid-liquid systems consisting of 2,2,4-trimethylpentane, ethanol and water are used in calculations of partition data for new phase system compositions. It was possible to reproduce the original data and to verify new experimental data by this calculation with high accuracy. Calculations were done in three ways. In the first, non-linear regression of the partition coefficients as a function of the phase system composition was examined. With this classical approach it is possible to calculate the values of the partition coefficients, solute by solute, with good accuracy. In the second approach, principal component factor analysis was used. The phase system-specific factors for further phase system compositions were calculated with a non-linear regression of these factors on the phase system composition. In combination with the solute-specific factors, the values of the partition coefficients for all solutes in any phase system composition could be predicted with excellent accuracy. In the third approach, target transformation factor analysis was applied. A relationship between the partition coefficient and the phase system composition was established on the basis of either the phase system composition itself or a simple function of it. This method also gave very accurate predictions of known and unknown partition coefficients.