An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Factorial design and principal component models are used to determine how ab initio H-bond stretching frequencies depend on characteristics of the molecular orbital wave functions of acetylene–HX, ethylene–HX and cyclopropane–HX π-type hydrogen complexes with X=F, Cl, CN, NC and CCH. The results obtained for the three sets of complexes show that factorial design and principal component analyses complement each other. Factorial design calculations clearly show that these frequencies are affected mostly by inclusion of electron correlation on the calculation level. On average, their values are increased by about 25 cm⁻¹ due to a change from the Hartree–Fock (HF) to Möller–Plesset 2 (MP2) level. Valence, diffuse and polarization main effects as well as valence–diffuse, diffuse–correlation and polarization–correlation interaction effects are also important to better describe a factorial model to the H-bond stretching frequencies of these hydrogen complexes. This simplified model has been successful in reproducing the complete ab initio results, which correspond to two hundred and forty calculations. Principal component analyses applied only to hydrogen-bonded complexes whose experimental frequencies are known, has revealed that the six-dimensional original space can be accurately represented by a bidimensional space defined by two principal components. Its graphical representation reveals that the experimental intermolecular stretching frequencies are in closest agreement with the MP2/6–31+G and MP2/6–311+G ab initio results.     

用Delphi实现快速删除TList的批连续结点算法的探讨

在编制遥测数据处理软件的过程中，面对大量的测试数据，经常需要编写高效率的数据过滤器。本文讨论了一种通过采用跨单元、跨类访问Delphi类的私有域的方法实现快速删除TList批连续结点的新算法，并通过测试结果得到验证。     

Scheduling Algorithms for Packet-Oriented MAC Protocols in Wireless Multimedia Systems

Future generation wireless multimediacommunications will require efficient Medium AccessControl (MAC) protocols able to guarantee suitable Qualityof Service (QoS) levels for different traffic classes whileachieving a high utilization of radio resources. This paperproposes a new scheduling technique to be adopted at the MAClevel in wireless access systems, named Dynamic Scheduling-Time DivisionDuplexing (DS-TDD), that efficiently managesvideo, voice, Web and background traffics. A theoretical approachis proposed in this paper to evaluate the DS-TDD performance withvoice and Web traffics. Simulation results have permitted tohighlight the following promising characteristics of the DS-TDDscheme: (i) a high capacity of real-time traffics isattained with a QoS insensitive to Web and background trafficloads; (ii) a high throughput can be guaranteed whilepreserving the QoS levels of the different traffic classes;(iii) heavier downlink traffic loads do not modify the QoSof uplink traffics. Finally, extensive comparisons with differentscheduling schemes proposed in the literature have permitted tohighlight the better performanceof DS-TDD.     

偶氮聚合物光存储研究进展

着重阐明了偶氮聚合物光存储纪录的原理,分析了其双折射特性的微观机制,介绍了该课题近年来实验和理论上的最新进展,对这一充满希望和挑战的多学科交叉研究专题作了展望。     

环氧树脂及其增强材料回顾

本文回顾了PCB制造常用的环氧树脂及其增强材料的性能和用途。同时,还介绍了代用树脂材料和代用增强材料的最新进展,如改性环氧树脂、无卤树脂、Thermount、PTFE、氰酸酯等,并就其性能进行了探讨。     

天然气吸附储存脱附过程的动态模拟

通过热动力学计算,认识了脱附过程当中储罐内温度剖面分布的典型特征:储罐轴心处的温度下降幅度最大。分析了脱附过程当中储罐壁的热交换、吸附剂的导热系数以及储罐内的初始压力对储罐内的温度剖面的影响。结论是加强储罐外壁的热交换、增大吸附剂的导热系数皆能改善吸附储罐内的温度剖面。     

Thermodynamic and Transport Properties of Liquid HFC-227ea

The thermal conductivity and heat capacity of liquid 1,1,1,2,3,3,3-hepta-fluoropropane (HFC-227ea) have been studied by a high-frequency thermal-wave method over the temperature range of 294 to 345 K at pressures up to 2.8 MPa. The purity of the samples used throughout the measurements is 99.99 mol%. The experimental uncertainties of the thermal conductivity and heat capacity measurements were estimated to be within ±1.5 and ±2%, respectively. The thermal conductivity of HFC-227ea in the liquid phase decreases as temperature increases, while the pressure has an opposite effect.     

600 A IGBT开关电路及其散热系统设计

采用IGBT开关电路，对大功率电阻带进行直流脉宽调制控制，实现了内燃机车大功率直流发电机负载实验中的负载大小的连续调节。为了避免在实验过程中IGBT器件的温度过高，采用独特的双管IGBT结构和双向强迫风冷的散热系统。实验表明该电路运行稳定、可靠。     

换热器设计中适宜流体用量的确定

利用换热器的操作线来分析讨论流体用量对传热过程的操作费用和设备费用的影响，找出了换热器设计和选型中适宜流体用量的优化确定方法，简便，快捷，具有一定的适用性。     

可编程模拟器件与技术新进展

简述可编程模拟器件的基本原理、典型应用和开发方法,介绍并比较主要的模拟可编程实现技术与主流器件系列,指出现存的主要问题并展望其未来发展方向.