Conformations of fold part in isotactic polypropylene lamella with diamond lattice model

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含铈类水滑石的制备及其衍生物催化研究

采用共沉淀水热法制备了镍铝铈三元复合层状氢氧化物.详细探讨了合成体系pH值、Ce/Al比及陈化条件对合成产物物相的影响;通过XRD,ICP,TG-DTA手段研究了合成物物相、组成及热行为.考察了以合成物为前驱体经焙烧后转化为镍铝铈复合金属氧化物在催化消除NO反应中的应用.实验结果表明,合成镍铝铈三元复合层状氢氧化物的适宜条件是:M2 /M3 =2,Ce/Al=0.07～0.75,pH=5.5～6.9,水热处理条件为110℃,5 h;在pH=5.5～6.9条件下,合成原料配比不同,产物物相相同,但组成不同;合成物热稳定性较差,在T=100～400℃之间,层间吸附水及层间平衡阴离子NO3-脱去,转化为复合氧化物,将此氧化物应用于NO消除反应中,表现出高的低温活性,400℃进行反应,NO转化率达95%,N2选择性几乎100%.     

Pd-Rh型国Ⅲ排放三效催化剂的研制

对满足欧Ⅲ排放限值的Pd-Rh型三效催化剂进行研究开发,测试了新鲜催化剂的空燃比特性和起燃温度特性,并与市场上的欧Ⅲ催化剂在同等条件下老化后的性能进行了比较.对研制的催化剂进行封装总成后,按照GB18352.3-2005标准进行了常温冷起动Ⅰ型和低温冷起动IV型试验,测试结果完全能满足该标准的限值要求.     

A spectroscopic study on the 12-heteropolyacids of molybdenum and tungsten (H3PMo12−nWnO40) combined with cetylpyridinium bromide in the epoxidation of cyclopentene

The epoxidation of cyclopentene with hydrogen peroxide catalyzed by 12-heteropolyacids of molybdenum and tungsten (H₃PMo_12−nW_nO₄₀, n = 1–11), 12-tungstophosphoric acid and 12-molybdophosphoric acid combined with cetylpyridinium bromide as a phase transfer reagent was carried out in acetonitrile. Among 13 heteropolyacids investigated, catalyst of H₃PMo₆W₆O₄₀ showed the highest activity, giving a conversion of 60% and a selectivity of 95% in the epoxidation of cyclopentene. The fresh catalysts and the catalysts under reaction condition were characterized by UV–vis, FT-IR and ³¹P NMR spectroscopy, which has revealed that all of the molybdotungstophosphoric acids were degraded in the presence of hydrogen peroxide to form a considerable amount of phosphorus-containing species. The active species resulted from H₃PMo₆W₆O₄₀ are new kinds of phosphorus-containing species, which is different from {PO₄[WO(O₂)₂]₄}³⁻.     

La2O3-Mo5Si3/MoSi2复合材料的高温氧化行为

研究了0．8％La2O3-MosSi3／MoSi2复合材料在1200℃空气中的高温氧化行为。结果表明：0．8％稀土和MoSi3的加入，使材料的抗氧化性能降低。MosSi3含量越高，材料的抗氧化性能越差。当MosSi3含量低于30％时，在氧化初始阶段，质量变化呈直线下降，随着氧化的进行，氧化逐渐增重，材料表面形成较致密的SiO2阻止了材料的进一步氧化，使得氧化增重较小。而0．8％La2O3-40％Mo5Si3／MoSi2复合材料却出现了“粉化”现象。0．8％La2O3．MosSi3／MoSi2复合材料抗氧化性能的降低，归因于Mo5Si3差的抗氧化性和材料致密度的降低；另外，稀土和Mo5Si3的加入，细化了材料的晶粒，使晶界面积增加，加速了氧在晶界中的扩散，促进了材料的氧化。     

SA耐火材料多晶结构与性能的研究

本实验采用磨具废砂和炉皮SiC废砂生产SA耐火材料，通过XRD分析和计算机处理确定各试样中的晶相（4H－SiC，33R－SiC，3C－SiC，α－Al2O3，β-石英和Al6Si2O13）及其各相的含量。通过材料性能与结构综合分析，确定较好的配方，其含量：磨具废砂50％，炉皮砂45％，结合剂5％，外加矿化剂2％。     

在位分散聚合聚甲基丙烯酸甲酯/二氧化硅纳米复合材料研究

应用在位分散聚合方法制备了分散相粒径介于１３０ｎｍ左右的聚甲基丙烯酸甲酯／二氧化硅ＰＭＭＡ／ＳｉＯ２纳米复合材料，并利用ＳＥＭ，ＤＭＡ，ＴＧＡ等手段研究了该体系的性能．结果表明，经表面处理的ＳｉＯ２无机填料在复合材料基体中分散均匀，界面粘结好．ＳｉＯ２填充粒子的用量对基体的热稳定性，动态力学行为，光学行为以及拉伸强度，弹性模量，断裂伸长率等力学性能都有较大影响     

VOCs控制催化剂的研制

以堇青石蜂窝陶瓷体为第一载体、γ-Al2O3为第二载体,制成的含稀土La和过渡金属元素的复合氧化物催化剂,在连续流动的反应体系上评价了催化剂对苯、氰氢酸、乙酸和氯苯等VOCs的氧化反应活性.结果表明: 采用LaCuMn组合制备的催化剂,La的含量在7%～10%左右、Cu的含量在5.5%左右、Mn的含量在7.5%左右时,第二载体γ-Al2O3的负载以采用半胶、pH值4～5、加入某些活性剂、负载量以7%～10%、活化温度为400～500 ℃时制成的催化剂的活性最好,研制的VOCs控制催化剂对各种VOCs均具有很高的催化活性.     

Nonequilibrium solid phase formation studied by lattice dynamics calculation and ion beam mixing in an immiscible Co-Ag system

For the equilibrium immiscible Co-Ag system, a proven realistic ab initio derived n-body potential is applied to study the nonequilibrium solid phase formation at three chemical stoichiometries of Co/Ag = 1:3, 1:1, and 3:1. To predict the structural stability, the elastic constants and the phonon spectra are calculated at the chosen stoichiometries with a total of eight hypothetical crystalline structures. The calculated results suggest that four compounds, that is, D0(3) CoAg3, B1 CoAg, B2 CoAg, and D0(3) Co3Ag, are unstable, as they all feature negative elastic constants as well as imaginary phonons, and that another four compounds of both fcc-type L1(2) and hcp-type D0(19) structures at chemical stoichiometries of Co/Ag = 1:3 and 3:1, respectively, may elastically be favored and therefore obtainable under some specific conditions. It is also found that all the calculated elastic constants and phonon spectra are coincident within the framework of the elastic theory. Moreover, the calculated elastic constants are in good agreement with those acquired directly from ab initio calculations, lending support to the validity of the ab initio derived n-body Co-Ag potential as well as its resultant elastic constants and the phonon spectra. Interestingly, some of the predicted nonequilibrium solid phases, that is, two hcp-type compounds at chemical stoichiometries of Co/Ag = 1:3 and 3:1, respectively, are indeed obtained in ion beam mixing experiments and their lattice constants determined by diffraction analysis are in good agreement with those from calculations.