Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

Characterization of a Tryptophan 6-Halogenase from Streptomyces albus and Its Regioselectivity Determinants

Tryptophan halogenases are found in diverse organisms and catalyze regiospecific halogenation. They play an important role in the biosynthesis of halogenated indole alkaloids, which are biologically active and of therapeutic importance. Here, a tryptophan 6-halogenase (SatH) from Streptomyces albus was characterized by using a whole-cell reaction system in Escherichia coli. SatH showed substrate specificity for chloride and bromide ions, leading to regiospecific halogenation at the C6-position of l -tryptophan. In addition, SatH exhibited higher performance in bromination than that of previously reported tryptophan halogenases in the whole-cell reaction system. Through structure-based protein mutagenesis, it has been revealed that two consecutive residues, A78/V79 in SatH and G77/I78 in PyrH, are key determinants in the regioselectivity difference between tryptophan 6- and 5-halogenases. Substituting the AV with GI residues switched the regioselectivity of SatH by moving the orientation of tryptophan. These data contribute to an understanding of the key residues that determine the regioselectivity of tryptophan halogenases.     

剂油比对煤焦油沥青质加氢过程的影响

以中低温煤焦油沥青质为原料,采用NiMoW/γ-Al_2O_3商业催化剂,在反应温度380℃、反应压力8 MPa和反应时间1.5 h条件下,分别在不同剂油质量比(1∶25、1∶20、1∶15、1∶10)条件下进行加氢实验,通过采用元素分析、FT-IR、XRD、~1H-NMR和XPS等分析表征手段,考察不同剂油质量比对中低温煤焦油沥青质加氢转化过程的影响。结果表明,随着剂油质量比的增加,沥青质转化率提高,加氢产物分布也发生大幅变化,沥青质和芳香分轻质化转化为饱和分。但随着剂油质量比的进一步提高,同时也发生了更多的裂化反应和缩合反应,剂油质量比在合适范围能够很好地起到加氢轻质化且抑制结焦的效果。     

大宗粉煤灰的综合利用及提质方案

对于大宗粉煤灰原灰进行分选加球磨机粉磨，同时添加合适的激发剂进行提质，可以生产出不同细度和活性的粉煤灰产品，提升粉煤灰在水泥及商品砼中的用量。介绍了某发电公司的粉煤灰处置现状，在此基础上，对商品砼的粉煤灰性能要求进行了大量市场调研，针对性地给出了该公司粉煤灰的提质方案，最后进行了提质粉煤灰的应用市场和产品竞争力分析。     

连续萃取精馏分离异丙醇-水的静态模拟分析

一般方法难以分离异丙醇-水形成的共沸体系,故选用乙二醇为萃取剂,采取连续萃取精馏的方法应用Aspen Plus软件模拟其分离过程并进行分析。萃取精馏塔的初始参数为物料进料流率4 800 kmol/h、n(异丙醇)∶n(水)=3∶2,理论塔板数26块、物料进料位置为第16块塔板、最小回流比1.4、萃取剂进料位置为第4块塔板,可分离得到质量分数为99.5%的异丙醇,再用Aspen Plus中Model Analysis Tools模块的灵敏度分析对实验进行模拟优化,优化结果为理论塔板数28块、物料进料位置第17块塔板、最小回流比1.5、萃取剂进料位置第4块塔板,优化后异丙醇的质量分数可达到99.8%。     

Pressure drop and optimization meta-models for arbitrary low-height pleated filter shapes and flowrates

Journal of Mechanical Science and Technology - This study delivers equations useful for low-height pleated fibrous filter design: two pressure drop equations and one set of optimum design equations...     

上保护层开采底板破坏深度和应力分析研究

上保护层开采导致的底板变形、应力释放会使被保护层内高瓦斯沿着上覆岩层内形成的空隙裂隙结构向上运移，很容易造成所采工作面采空区内瓦斯增加，造成工作面瓦斯超限。以峰峰集团以黄沙矿为研究实例，针对其主采的2号煤层利用FLAC^3D模拟软件进行上保护层开采底板应力研究，揭示了上保护层开采底板应力的规律特性，对于保护层开采工作瓦斯治理具有一定的指导意义。