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71.
采用Hartree-Fock和MP2方法在多种水平下优化了(H2O)^+n(n =1,2)的几何结构,并进行了振动光谱分析。结果表明:对(H2O)^+采用MP2/6-311++G(d,p)可得出最满意的结论。 相似文献
72.
对已经商品化的Perkin-Elmer TMS-2型热机分析仪进行改进,用来测量聚合物材料的热释蠕变行为。按照7SCr分步加载的程序,用弯曲法测量了-83~300℃温度范围内低密度聚乙烯的玻璃化转变松弛过程,并从TSCr谱上计算其相应的分子参数,实验结果与用扭转的TSCr方法所得结果相等,因此这是一种研究聚合物材料松弛行为的方便可行的技术。 相似文献
73.
J.A. ColladoM.A.G. Aranda A. CabezaP. Olivera-Pastor S. Bruque 《Journal of solid state chemistry》2002,167(1):80-85
The La2W2−xMoxO9 series has been synthesized by the ceramic method. An alternative synthesis using microwave radiation is also reported. La2W2O9 has two polymorphs and the low-temperature phase (α) transforms to the high-temperature form (β) at 1077°C. The influence of the W/Mo substitution in this phase transition has been investigated by DTA. The β structure for x≥0.7 compositions can be prepared as single phase at any cooling rate. The β phase for 0.3≤x≤0.7 compounds can be prepared as single phase by quenching, whereas a mixture of α and β phases is obtained by slow cooling. The W/Mo ratio in both coexisting phases is different with the β-phase having a higher Mo content. The x=0.1 and 0.2 compounds have been prepared as mixtures of phases. The room temperature structure of β-La2W1.7Mo0.3O9 has been analyzed by the Rietveld method in P213 space group. The final R-factors were RWP=9.0% and RF=5.6% with a structure similar to that of β-La2Mo2O9. Finally, the thermal expansion of both types of structures has been determined from a thermodiffractometric study. The thermal expansion coefficients were 2.9×10−6 and 9.7×10−6°C−1 for α-La2W2O9 and β-La2W1.2Mo0.8O9, respectively. 相似文献
74.
一种低磁矩、大功率复合稀土石榴石铁氧体的工艺和性能研究 总被引:4,自引:0,他引:4
为满足低场区几百兆赫的超大功率器件的性能要求,以钇铁石榴石铁氧体为基础,制备了一种低磁矩复合稀土石榴石铁氧体YGd CaVInIG,研究了少量Mn3+替代Fe3+和预烧温度、烧结温度对铁氧体性能和结构的影响。实验表明,以少量Mn3+替代Fe3+可以提高铁氧体电阻率,降低磁损耗和介电损耗。Mn3+掺入量以x为0.04~0.06比较合适,铁氧体最佳予烧温度为1050℃,最佳烧结温度1350~1380℃,保温5h,氧气中烧结,其性能为:4πMs=500±10%kA·m-1,ΔH=5.25~5.55kA·m-1,TC>180℃,tgδe≤0.5×10-5,这种材料适合微波低频段器件性能要求。X射线衍射分析指出,掺Mn3+的YGdCaVInIG铁氧体相变完全,呈单相复合石榴石铁氧体,空间群为I230,点阵常数1.25057~1.25101nm,单胞分子数n为7.75~7.80。 相似文献
75.
M. Costa-Ferreira A. Dias C. Maximo M. J. Morgado G. Sena-Martins J. Cardoso Duarte 《Applied biochemistry and biotechnology》1994,44(3):231-242
Production of xylanolytic enzymes by anAspergillus niger CCMI 850 isolate was investigated in batch cultures. The effect of the composition of a fermentation medium that did not
include chemical inducers, on β-xylanase, β-xylosidase, α-l-arabinofuranosidase, and total cellulase activity was studied. With 4% xylan as the carbon source, about 65 U/mL of β-xylanase
was obtained, whereas the total cellulase activity was undetectable, under the specified conditions. This β-xylanase activity
represents the highest reported for a wild-type strain ofA. niger. The effect of pH and temperature on the activity of β-xylanase was studied. Partial characterization of the β-xylanase showed
that with insoluble birchwood as substrate theK
m
andV
max were 0.3 mM and 19 μmol/min, respectively. Aspects of using the crude β-xylanase preparation for applications in the pulp and paper industry
were discussed. 相似文献
76.
Sandip?HalderEmail author Theodor?Schneller Rainer?Waser 《Journal of Sol-Gel Science and Technology》2005,33(3):299-306
A new chemical solution deposition (CSD) route for the fabrication of Ba0.7Sr0.3TiO3 (BST) thin films has been developed which completely prevents the formation of an intermediate oxo-carbonate phase. The latter has been reported previously by several authors to be responsible for increased crystallization temperatures. Barium and strontium diaminoethoxides were synthesized starting from pure barium and strontium metal and aminoethanol. These alkoxides were found to be readily soluble in a wide range of solvents and thus were excellent candidates for the CSD process. To prepare a stable precursor solution the aminoalkoxides were dissolved in 2-butoxyethanol and then used for the deposition of BST thin films. We conclude that the minimum crystallization temperature of 600C to be independent of the formation of the oxo-carbonate phase. DTA-TGA were performed on the precursors and their solutions to study their decomposition behaviour. All films annealed at different temperatures were physically characterized by XRD, IR, and SEM. The films prepared by this route at 650C were found to have high dielectric constant and the leakage currents were comparable to BST films prepared by normal carboxylate based routes at 750C. 相似文献
77.
P. Torline G. du Plessis N. Schnautz J. C. Thompson 《Journal of separation science》1979,2(10):613-616
A detailed method for the routine preparation of glass capillary columns is presented. The method consists of coating a glass tube with quartz powder prior to pulling the tube into a capillary. The inner surface of the capillary consists of an even distribution of quartz particles fused to the walls. This surface has been found readily deactivated by standard procedures and ideal for the preparation of thick-film glass capillary columns. The method has been thoroughly tested in two independent laboratories to ensure that the procedures described are reproducible. 相似文献
78.
The cutoff frequency f_(max) of radiation from earthquakes is one of the important parameters for studying the source process. By theoretical analysis and numerical experiments on acceleration Fourier spectrum it is suggested that f_(max) mainly depends on the lower values of slip rise time. This result can be used to explain the observational fact that the greater the earthquake magnitude, the smaller the value of f_(max). 相似文献
79.
In the study, a series of C_(30)-C_(32) lanostane homologs have been identified from Eogene source rocks and crude oils of Biyang depression in Henan Province, China. Based upon the geochemical investigations and simulating experiments, the idea that the generation of lanostane may mainly be related to the specific original organic inputs and low maturity has been proposed. 相似文献
80.
过渡金属对分子筛担载Pd催化剂上CO氧化性能影响 总被引:2,自引:0,他引:2
分别采用共浸和连续浸渍法制备了一系列添加过渡金属的Pd-M-Ox-NaZSM-5(M=Cr,Mn,Fe,Co,Ni,Cu,Zn,Mo,Zr等)负载型催化剂.以CO氧化为探针反应,考察了不同制备方法对CO氧化性能影响,结果表明共浸法制备的各催化剂其活性明显优于连续浸渍法.详细考察了反应温度、Fe含量、氢气预还原、空速以及水蒸气等对共浸Pd-Fe-Ox-NaZSM-5催化剂上CO氧化行为影响,并应用XRD和XPS等手段对催化剂体相结构和表面状态进行了表征.结果表明:加入Fe2O3可明显提高Pd/NaZSM-5催化剂活性,且催化CO氧化的转化率随反应温度及Fe含量增加而增加;空速增加以及H2预还原作用导致Pd-Fe-Ox-NaZSM-5活性有所降低;催化剂对水蒸气较为敏感.XRD测试结果表明催化剂中Pd组分处于较高分散状态,以红铁矿形式存在的Fe2O3的引入,促进了Pd物种在NaZSM-5载体上的分散.表面XPS分析证实Fe2O3与Pd物种间存在较强的相互协同作用,且催化剂表面Pd物种处于较高氧化状态.Pd的高分散及其与Fe2O3的相互协同作用是共浸催化剂具有高活性的关键因素. 相似文献