苯与羰基钼相互作用的密度泛函研究

用密度泛函理论在B3LYP/LANL2DZ基组水平上自由优化(η~x-C_6H_6)Mo(CO)_n(x=1-6;n=1-5)复合物体系的可能构型及计算相互作用能,探索不同羰基数对复合物稳定性、苯和羰基钼相互作用的影响,并分析苯和羰基钼相互作用的NBO。结论(1)苯以η~6与Mo(CO)_n(n=1-3)配位形成的复合物比较稳定,但η~6配位复合物CO的个数越多,则越不稳定;(2)复合物1、2、3和10中,Mo(CO)_n与苯的相互作用拉动电荷由苯的π键电子向Mo(CO)_n的σ_(Mo-CO)~*键转移,而在复合物7中,苯的π键电子向Mo(CO)_n中Mo的孤对电子轨道d转移。     

Ore-blending optimization model for sintering process based on characteristics of iron ores

An ore-blending optimization model for the sintering process is an intelligent system that includes iron ore characteristics,expert knowledge and material balance.In the present work,14 indices are proposed to represent chemical composition,granulating properties and high temperature properties of iron ores.After the relationships between iron ore characteristics and sintering performance are established,the "two-step" method and the simplex method are introduced to build the model by distinguishing the calculation of optimized blending proportion of iron ores from that of other sintering materials in order to improve calculation efficiency.The ore-blending optimization model,programmed by Access and Visual Basic,is applied to practical production in steel mills and the results prove that the present model can take advantage of the available iron ore resource with stable sinter yield and quality performance but at a lower cost.     

Novel technology on preparation of double-layered pellets for sulfur and arsenic-bearing gold concentrates

Double-layered pellet （DLP） roasting is a novel pretreatment method for sulfur and arsenic-bearing gold concentrates. In this process, preparation of DLPs is a fundamental step which is required to produce DLPs with favorable mechanical strength and thermal stability. Studies were carried out to investigate the affecting factors and conditions on the preparation and properties of DLPs. The results show that moisture content has significant influence on DLPs preparation. With the increase of moisture content in the range of no more than 9.8%, drop resistance and compressive strength of green DLPs are raised and the pelletizing dynamics is improved accordingly. The optimum conditions are determined as moisture content of 9.8%, coating time of 14-16 min, drying temperature 〈80 ℃and drying gas velocity 〈1.2 m/s. When DLPs prepared under these conditions are roasted at 600 ℃ for 1 h, favorable removal and solidifying rates can be obtained, in which the removal rates of arsenic and sulfur are 94.38% and 82.55%, and the solidifying rates of arsenic and sulfur reach 99.62% and 99.79%, respectively. These results promise industrial application of DLP roasting.     

三氧化钼纳米带的简易合成与表征

在不添加表面活性剂,无模板的情况下,以钼粉和双氧水为原料,采用90℃水浴的方法制备三氧化钼纳米带。用X-射线衍射(XRD),扫描电子显微镜(SEM),透射电子显微镜(TEM)对产物进行表征。结果表明,反应产物均为三氧化钼纳米带,且纳米带尺寸均匀,宽度为80～100nm,厚度为20nm,长度为5～30μm。研究还发现,合成条件如反应时间,反应介质对产物的形貌有一定影响。     

氧化钼研发进展

介绍了高溶性氧化钼、工业氧化钼、氧化钼压块、α-三氧化钼、化学纯三氧化钼、纳米三氧化钼和二氧化钼等的制法、性能和应用研究的最近进展。     

从低品位钼精矿中提取钼的新工艺新方法

改进传统处理低品位钼精矿工艺路线，采用简单的设备，低成本，高收率，提取低品位钼精矿中钼，生产制备出晶体工业一级钼酸钠，环保指标达到国家标准。     

碳/氮化钼的性能、应用及制备

介绍了碳化钼和氮化钼的结构和性质，总结了碳化钼和氮化钼在材料改性、催化剂、电化学容器以及其他领域的应用和制备方法。     

落实科学发展观促进生态钼业建设

扼要介绍了生态工业的基本概念和我国有关生态钼业技术的某些研究进展，讨论了我国钼业发展中存在的一些问题，提出了建设我国生态钼业的建议并提供几篇有关参考文献。     

微波法测定氧化钼块中钼和水分含量

将氧化钼样品经处理转化为钼酸铅沉淀后，以微波炉代替马弗炉对沉淀进行了干燥试验，同时对氧化钼的水分测定也采用了微波干燥法。结果表明，利用微波法可使沉淀干燥的时间由30min缩短为7min，氧化钼干燥时间由2h缩短为4min。显著提高了样品中钼和水分的测定速度。