AB INITIO CALCULATION OF THE ELASTIC AND OPTICAL PROPERTIES OF Al_3Sc COMPOUND

The ab initio method has been performed to explore the elastic and optical properties of Al3Sc compound, based on a plane wave pseudopotential method. It can be seen that the calculated equilibrium lattice parameter and elastic constants are in reasonable agreement with the previous experimental data. The elastic constants satisfy the requirement for mechanical stability in the cubic structure of the Al3Sc compound. The optical property calculations show that a strong absorptive peak exists from 0-15eV and a relative small absorptive peak exists around 30eV. The form is caused by the optical transitions between high s, p, and d bands, and the latter results from the optical transitions from high s, p, and d bands to the low 2p band.     

Fe3Al/Q235异种材料扩散焊界面相结构分析

采用X射线衍射、透射电镜和电子衍射技术对Fe3Al/Q235真空扩散焊界面附近的微观相结构进行了试验研究。试验结果表明，当加热温度1050～1080℃，保温时间60min，压力9.8MPa时，Fe3Al金属间化合物与Q235钢扩散焊界面附近形成了明显的扩散过滤区，该过渡区由Fe3Al相和a-Fe(Al）固深体构成，显微硬度约为480～540HM，不存在含铝校较高的高硬度脆性相。有利于提高Fe3Al/Q235扩散过滤区的韧性，提高扩散焊接头的抗裂纹能力。扩散过滤区中的Fe3Al相与a-Fe(Al）固溶体之间存在着（110）a-Fe(Al)//(011)Fe3Al和[001]a-Fe(Al)//[100]Fe3Al的晶体学取向关系。     

原位生成Al2O3、TiB2和Al3Ti/Al复合材料的热循环行为

本文研究了Al-TiO2-B系原位生成Al2O3、TiB2和Al3Ti/Al颗粒增强铝基复合材料的热循环行为，研究结果表明了纯铝及B／TiO2摩尔比分别为0、1和2的颗粒增强铝基复合材料的热循环行为具有以下结果，纯铝和复合材料热循环后均产生了残余应变和滞后环；Al-TiO2-B系列复合材料热循环应变的各项指标均比纯铝基体大大降低，且具有较小的内耗功和较好的热稳定性，可以预测其具有较高的热疲劳寿命，热循环曲线能很好的评估复合材料在温度循环变化的环境中工作时的热稳定性和热疲劳。     

Study on the anodic film formation process of AZ91D magnesium alloy

The formation of anodic film of AZ91D magnesium alloy has been investigated by means of electrochemical impedance spectroscopy (EIS), cyclic voltammetry, anodic polarization curve, current-time transients and SEM technique. The results show that, under our experimental conditions, the formation of AZ91D anodic film follows the mechanism of 3D nucleation with diffusion controlled growth. With the increase of applied anodizing potential, the nucleation type of anodic film changes from progressive to instantaneous. The results also show that the initially formed anodized film is threadlike and porous, and high potential is essential for the formation of good anodic film with excellent properties.     

D,L-对羟基苯甘氨酸的合成研究

对利用氨基磺酸、苯酚、乙醛酸合成D,L 对羟基苯甘氨酸的方法进行研究,利用薄层色谱分析优化了反应条件。合成D,L 对羟基苯甘氨酸的最佳工艺条件为:投料摩尔比苯酚∶氨基磺酸∶乙醛酸=1∶1.2∶1,以水为溶剂,浓硫酸为催化剂。一般0.1mol的乙醛酸加入20ml的水,1～2ml的浓硫酸。温度控制在40～60℃,反应5～6h。单程收率可达66.7%,母液回收套用后收率达83.8%,产品的结构用1H NMR,13C NMR进行鉴定。     

氧化合成对羟基苯甲醛的研究

研究了在硫酸介质中用Mn3+氧化对甲苯酚合成对羟基苯甲醛适宜的工艺条件:反应温度50℃,反应时间60 m in,硫酸浓度7.0 mol/L,搅拌速度为600 r/m in。粗产品经多步过滤分离法提纯,其总产率可达64.63%。     

Polymorphism of tricalcium silicate, the major compound of Portland cement clinker: 2. Modelling alite for Rietveld analysis, an industrial challenge

A comprehensive quantification of the various phases of clinkers by X-ray diffraction with a Rietveld-like analysis is an important industrial challenge. Various available structural models are used for the most frequent M1 and M3 polymorphs of alite usually found in industrial clinkers, referred to as M1- or M3-based clinkers. In this paper, the effect of C₃S structural model is investigated. Four models are tested and compared using either synthetic M1 and M3 alites or M1- and M3-based clinkers. The comparison validates the available models for M1 and M3 alites and an average model, given here, derived from our recently proposed M1 structure as a catch-all model when the nature of the clinker is unknown. The latter model is meant to be used for industrial on-line quantification.     

异丁醛合成2,4,6-三异丙基-1,3,5-三噁烷的研究

本文以异丁醛为原料在杂多酸催化剂的作用下，环化合成了无毒升华剂2，4，6－三异丙基－1，3，5－三恶烷，考查了各种反应条件的影响，确定以磷钨酸为催化剂时的最佳反应条件：反应温度25℃，催化剂用量1．5％，反应时间2．5h，产物的收率达84％以上。     

纳米CaCO3的表面改性研究

本文研究了纳米CaCO3表面改性的影响因素，确定了最优改性剂和改性条件，并运用沉降实验、透射电镜（TEM）等表征手段对粉体的改性效果进行了分析。结果表明：以月桂酸钠为改性剂，用量为10％，pH值为7，改性时间为1h时，改性后的纳米CaCO3的亲油化度达到85．1％，能较好地分散于环己烷和二甲苯中。     

不同方法制备丙酮一步法合成甲基异丁基酮催化剂Cu-MgO-Al2O3的比较

采用浸渍法及共沉淀法分别制备丙酮一步法合成甲基异丁基酮催化剂Cu-MgO-Al2O3，通过考察催化剂的催化性能，研究不同方法制备催化剂对其活性的影响。结果表明，催化剂中碱性组分与金属组分含量匹配合适才能得到最佳的反应结果，共沉淀法催化剂比浸渍法催化剂具有更大的比表面积和孔体积，进料速率高，活性好。