Removal of VOCs from gas streams with double perovskite-type catalysts

Double perovskite-type catalysts including La2 CoMnO_6 and La_2 CuMnO_6 are first evaluated for the effectiveness in removing volatile organic compounds(VOCs), and single perovskites(La CoO_3, LaMnO_3, and La Cu O3) are also tested for comparison. All perovskites are tested with the gas hourly space velocity(GHSV) of 30,000 hr~(-1), and the temperature range of100–600°C for C_7H_8 removal. Experimental results indicate that double perovskites have better activity if compared with single perovskites. Especially, toluene(C_7H_8) can be completely oxidized to CO_2 at 300°C as La2 Co MnO_6 is applied. Characterization of catalysts indicates that double perovskites own unique surface properties and are of higher amounts of lattice oxygen,leading to higher activity. Additionally, apparent activation energy of 68 k J/mol is calculated using Mars-van Krevelen model for C7 H8 oxidation with La2 Co Mn O6 as catalyst. For durability test, both La2 Co Mn O6 and La_2 CuMnO_6 maintain high C7 H8 removal efficiencies of 100% and98%, respectively, at 300°C and 30,000 hr~(-1), and they also show good resistance to CO_2(5%) and H2 O(g)(5%) of the gas streams tested. For various VOCs including isopropyl alcohol(C_3H_8 O),ethanal(C_2H_4O), and ethylene(C_2H_4) tested, as high as 100% efficiency could be achieved with double perovskite-type catalysts operated at 300–350°C, indicating that double perovskites are promising catalysts for VOCs removal.     

分子生物学方法在微生物多样性及微生物生态研究中的应用

首先介绍了分子生物学技术在微生物多样性及微生物生态研究中应用的理论基础，以及在此基础上引入的分子生物学技术如：PCR、DNA杂交技术在分子层面上来研究微生物遗传多样性，并结合已有工作积累展望了分子微生物生态研究的发展前景．图2参20     

定量构效关系模型分析氯代烯烃中氯原子对其分子描述符的影响

定量构效关系(QSAR)模型在研究饮用水消毒副产物(DBPs)中氯原子数量与毒性的关系方面有一定进展,然而,能够反映DBPs毒理性的分子描述符和氯原子数量之间的相关性却从未被系统地和定量的研究.分子描述符的计算是QSAR研究的基础,其中分子轨道能,如最低空轨道能量(ELUMO)是应用最广的量化参数之一.基于QSAR方法建模筛选氯代烯烃同系物的相关量子化学参数,检验最高占据轨道能级(EHOMO)、碳原子数(NC)、氯原子数(NCl)对ELUMO的贡献作用.并通过统计学方法进行模型开发和内外交叉法验证发现,NCl和NC是预测氯代烯烃分子特性较重要的两个化学参数,即较稳健的模型为ELUMO=-0.0205NCl+0.0059NC+0.1641(n=11,R2 =0.9956,F=102.8569,RMSE =0.0019).此外,为了提高模型的准确性,使用蒙特卡罗法对模型进行不确定性分析,来进一步评估这些参数的误差源传输到ELUMO计算时,对ELUMO的影响.     

Use of molecular and In Silico bioinformatic tools to investigate pesticide binding to insect (Lepidoptera) phenoloxidases (PO): Insights to toxicological aspects

In the present work, the promising bioinformatic tools, based on structure–affinity analysis, allowed to screen several pesticides supposed to bind to the insect immune Phenoloxidases (PO). First, the binding of aminoparathion, a reference compound, to the PO was structurally (3D) validated in accordance with previous reports. Second, using the same docking conditions, a range of pesticides was checked for their binding ability to the crystal 3D structure (PDB 3HSS) of the insect Manduca sexta (Lepidoptera) PO. The obtained data showed that many of the tested pesticides were able to bind, in silico, to M. sexta PO. The combination of in vitro (chemical and biochemical) and in silico (automated docking) approaches was found advantageous to elucidate the behavior of phenolic pesticides as substrate-analogues when binding to the active site of insect POs. Our findings emphasize new ecotoxicological aspects of pesticide residues in the agro-chemical and environmental circles.     

烟气脱硝装置与电厂设备运行的相互影响

火电厂烟气脱硝装置中的二氧化硫、灰分、氨及催化剂中的各种重金属在高温烟气的作用下发生各种化学作用,生成的硫酸氢氨等产物对火电厂的各种设备均会产生不同影响.同时由于系统阻力及荷载的变化,也会对电厂其他相关设备产生影响,根据目前工程的运行经验,火电厂在增设脱硝装置后,均会对空气预热器、引风机、锅炉钢架等进行改造.通过综合分析烟气脱硝装置产生的影响原因及解决办法,为脱硝装置的设计提供参考.     

La2O3—ZrO2缺陷萤石型燃烧催化剂的制备

缺陷萤石型Ｌａ２Ｏ３－ＺｒＯ２固溶体的催化燃烧活性受制备条件的影响，本文通过对其共沉淀前体的表面结构和热分解过程的分析，发现共沸蒸馏的办法可以有效地控制前体表面羟基的缩合过程，减少团聚，保持前体中金属离子均匀分散，为生成缺陷有序的烧结石型的Ｌａ２Ｚｒ２Ｏ７复氧化物提供了可能。复合氧化物固溶体的表面阳离子配置情况与样品的催化氧化性能密切相关，软团聚前体的烧结产物对甲烷燃烧反应具有更高的催化活性。