Vibrational spectroscopic analysis of lithium hydrazinium sulfate

The low temperature polarized Raman spectra of lithium hydrazinium sulfate, LiN₂H₅SO₄, have been measured in the range 5–3500 cm⁻¹. The symmetry-based assignments for the observed modes are given. The room temperature polarized i.r. reflectivity spectra in the range 200–4000 cm⁻¹ were also measured to verify the presence of extensive TO—LO splitting in the sulfate ion ν₃ and ν₄ internal optic modes. In the lattice mode region, the lithium ion external optic modes are identified, and the spectra of the deuterated analog allow the identification of several modes due primarily to the external motions of either the sulfate or hydrazinium ions. Other lattice modes are found to be a mixture of sulfate and hydrazinium ion external motions. Coupling of the sulfate ion ν₃ modes and the hydrazinium ion group bending modes prevents an unambiguous assignment of the bands in the 1050–1200 cm⁻¹ spectral region. The N—H stretching region spectra contain a larger number of modes than predicted by a factor group analysis. These extra modes are discussed in terms of resonance interactions of the N—H stretching fundamental modes with overtones and combination modes.     

A review of mobility metrics for next generation vehicle mobility models

In the United States, the NATO Reference Mobility Model (NRMM) has been used for evaluating military ground vehicle mobility and the Vehicle Cone Index (VCI) has been selected as a mobility metric. VCI represents the minimum soil strength required for a vehicle to consistently make a specific number of passes, usually one or fifty passes. In the United Kingdom, the Mean Maximum Pressure (MMP) has been adopted as a metric for assessing military vehicle cross-country mobility. MMP is the mean value of the maxima occurring under all the wheel stations of a vehicle. Both VCI and MMP are empirically based. This paper presents a review of the basis upon which VCI and MMP were developed, as well as their applications to evaluating vehicle mobility in practice. With the progress in terramechanics and in modelling and simulation techniques in recent years, there is a growing desire to develop physics-based mobility metrics for next generation vehicle mobility models. Based on the review, criteria for selecting physics-based mobility metrics are proposed. Following these criteria, metrics for characterizing military vehicle traction limits and traversability on a given operating area are recommended.     

Evaluation of drawbar performance of winter tyres for special purpose vehicles

Driving on ice is still a risky activity. Research has investigated the factors contributing to the friction mechanism and has reported experimental studies of pneumatic tyres on ice in order to develop models that predict tractive and braking performance on ice/snow. Therefore, developing testing methods to obtain relevant experimental data for the validation of models is equally important.There are agricultural and industrial vehicles which are also designed for pulling but there are no specific studies reporting experimental tests on traction force of such machines in snowy conditions. However, this issue is very topical, as demonstrated by the appearance on the market of winter tyres for such vehicles.This study presents a method for testing winter tyres in outdoor test facilities with a focus on traction performance. The conclusions will serve in future investigations as a concise knowledge source to develop improved testing facilities and tyre–ice interaction models, aiding the development of better tyre designs and improved vehicle safety systems.The functional tests hereafter described have been carried out with the aim of evaluating the possibility of measuring the influences of different technique solutions on the performance of certain 17.5 R25 sized industrial tyres.     

Tire and soil effects on power loss: Measurement and comparison with finite element model results

In the present study, the effect of vertical load, tire inflation pressure and soil moisture content on power loss in tire under controlled soil bin conditions were investigated. Also a finite element model of tire-soil interaction in order to achieve a suitable model for predicting power loss in tire was created. Increasing the vertical load on the tire had a noteworthy impact on increasing the tire contact volume with the soil, reducing the percentage of slip, and increasing the rolling resistance; although, reducing the load on the tire had the opposite effect. At a constant inflation pressure, by increasing the vertical load on the tire, the amount of power loss due to the rolling resistance and the total power loss in the tire increased. Increase in soil moisture content increased the power loss caused by slip. Increasing the inflation pressure at a constant vertical load, also increasing the soil moisture content, led to an increase in the power loss caused by rolling resistance, and increase total power loss. The obtained error for estimating power loss of rolling resistance and total power loss was satisfactory and confirmed the acceptability of the model for power loss estimation.     

W/ZrNiAlCu亚稳态合金复合材料破片对RHA靶的侵彻释能特性

为研究W/ZrNiAlCu亚稳态合金复合材料破片对RHA靶板的侵彻释能特性,采用高速摄影弹道枪侵彻实验和能量方程、Avrami-Erofeev方程理论分析的方法,对破片的侵彻释能过程、侵彻规律、释能规律进行了研究。结果表明,破片在撞击并贯穿靶板的过程中激发了材料的燃烧反应,在靶板前方和后方产生了明显火光,随着撞击速度增加,火光范围增加、亮度提高;破片撞击速度、冲塞体速度的关系符合采用能量法推导的包含质量损失的破片侵彻公式,破片理论弹道极限速度为987.1 m·s?1;在实验速度范围内,材料反应效率随着冲击压力的增加而增加,与实验现象吻合。     

Mn2+、N2-共掺杂Zn2GeO4晶体电子结构和光学性质的研究

采用基于密度泛函理论的平面波超软赝势方法对本征Zn2GeO4,Mn2+掺杂Zn2GeO4,Mn2+/N2-共掺杂Zn2GeO4超晶胞进行了几何结构优化,计算了掺杂前后体系的晶格常数、能带结构、态密度和光学性质。结果表明,Mn离子掺入后,Mn离子3d轨道与O离子2p轨道之间有强烈的轨道杂化效应,掺杂系统不稳定,而Mn/N离子共掺后,Mn离子和N离子之间的吸引作用克服了Mn离子之间的排斥作用,能够明显地提高掺杂浓度和体系的稳定性。光学性质计算结果表明,Mn离子与N离子共掺杂能改善Zn2GeO4电子在低能区的光学跃迁特性,增强电子在可见光区的光学跃迁;吸收谱计算结果显示,Mn离子与N离子掺入后体系对低频电磁波吸收增加。     

含羟基基团取代的氮氧自由基构筑的三个双核稀土化合物的结构及磁性表征

以三氟乙酰丙酮(tfac)为共配体的稀土配合物分别与5-溴-2-羟基苯取代的自由基配体和5-硝基-2-羟基苯取代的自由基配体进行反应,合成3个稀土-自由基配合物[Ln2(tfac)4(NIT-5Br-2PhO)2](Ln=Gd (1),Dy(2))和[Dy2(tfac)4(NIT-5NO2-2PhO)2](3)(NIT...     

THEORETICAL PREDICTIONS OF STRUCTURES AND VIBRATIONAL INFRARED FREQUENCIES. I. MERCAPTANS AND SULFIDES

Abstract

We report the computed equilibrium geometries and vibrational infrared frequencies of a group of thirteen mercaptans and sulfides. The computations were based on the Gaussian 86 Program Package utilizing 3-21G basis sets. The theoretical bond distances and bond angles are in agreement with the available experimental data. The agreement between computed frequencies and available experimental values seems reasonable. We also used the computations as guidelines for the assignment of available experimental infrared frequencies. We believe that it is possible to make reliable frequency predictions by combining computations with available experimental data for groups of similar molecules. However, it is necessary to introduce different correction factors for different types of vibrational modes if we use 3-21G basis sets.     

Co3O4/CeO2的氧化还原性能及反应条件对其CO氧化活性的影响

采用沉淀氧化法制备了Co₃O₄/CeO₂催化剂。运用XRD、BET和TPR表征手段,考察了不同钴铈比及焙烧温度对钴铈复合氧化物物理及化学性能的影响,并分别在干、湿条件下进行了一氧化碳氧化反应研究。结果表明,与纯的Co₃O₄相比,在不同比例的Co₃O₄/CeO₂均经723 K焙烧的各种催化剂中,钴铈原子比为9∶1的复合氧化物粒径较小,比表面积较大,说明适当比例铈的添加能使Co₃O₄具有较小的粒径。此氧化物经538 K温度焙烧制得的钴铈比为9∶1的复合氧化物中Co₃O₄平均粒径为7.2 nm, BET比表面积为167.6 m²/g。经TPR考察发现其具有最优的氧化还原性能。     

苯酚羟化反应中焦油的分离与分析

利用高速离心、减压蒸馏和萃取等方法分离和定量分析苯酚催化羟化反应中所产生的副产物焦油,讨论各种方法的特点.使用萃取方法系统地考察了各种条件下,以Cu2(OH)PO4为催化剂时苯酚羟化反应体系中焦油的生成量.