Theoretical Study on the Structures and Stability of Isomers and Complex of[Si,C,O,O] Sytem

A detailed singlet potential energy surface(PES) of [Si,C,O,O] system including a van der Waals (vdW) comples SiO……CO2,eight isomers,and twelve transiton states is investigated by MP2 and QCISD(T) (single-point)methods.At the final QCISD(T)/6-311 G(2df)//MP2/6-311G(d) level with zero-point energy included,the complex SiO……CO is found to be thermodynamically and kinetically the most stable species.Although eight ismoers are located as local energy minima,they are rather unstable toward isomerization to the dissociation fragments or comples.For the reaction of silocon atoms with carbon dioxide,two competitive reaction channels are found,and the primary pathway,which leads to the products of SiO and CO fragments,is the direct oxygen-abstraction process from carbon dioxide by silicon atom with a41.16 kJ/mol reaction barrier height.Our predications are in good agreement with previous experimental and theoretical studies.     

滇紫草及露蕊滇紫草的氨基酸和元素分析

为分析滇紫草及露蕊滇紫草中的氨基酸和元素含量，将样品用酸处理后，采用氨基酸分析仪及电感耦合等离子体发射光谱仪进行了测定。结果表明，两种紫草含有18种氨基酸及14种元素。可见滇紫草及露蕊滇紫草问氨基酸和元素含量没有重大的差异。     

搅拌釜中制备草酸铈的团聚尺寸模型研究

以硝酸铈和草酸铵反应生成草酸铈沉淀为研究对象，探讨了搅拌釜中输入功率、溶液过饱和度与产物团聚尺寸之间的变化关系并在团聚和破碎动力学的基础上建立了团聚尺寸模型。根据草酸铈沉淀实验中得到的实验结果求得了一定反应体系浓度下的模型K1，K2和K3值，最后通过－↑LtE,max的模型计算值与实验值，ε--↑LtE的模型曲线与实验曲线的比较初步证明了该模型的实际适用性。     

K-Ce_(0.5)Zr_(0.5)O_2催化碳颗粒物燃烧性能

用等体积浸渍法制备了不同K负载量的xKNO3-Ce0.5Zr0.5O2系列催化剂,用程序升温氧化反应(TPO)考察催化剂对碳颗粒物(soot)燃烧的催化活性.并采用XRD、BET、FT-IR、XPS等技术对KNO3负载催化剂进行表征.结果表明KNO3负载量对催化剂的比表面、表面化学环境有显著的影响;KNO3能使催化剂对soot的催化燃烧活性有较大提高,且存在最佳负载量,当x=0.5时,催化剂的活性最好,碳颗粒物的起燃温度(T)i和峰顶温度(Tp)分别为290℃和360℃.在反应过程中,KNO3熔融状态的形成和K2CO3的生成,使催化活性明显提高.     

锰—铈复合氧化物催化剂表面氧的性质

氧化锰催化剂广泛用于一氧化碳常温氧化及汽车尾气的净化等,CeO_2是氧化物催化剂的优良助剂。非贵金属催化剂中添加CeO_2能提高催化剂的氧化活性已有很多报道,但有关Ce对氧化锰结构及表面氧脱附性能影响的研究尚不多见。本文运用XRD、DTA和TPD-MS等手段对共沉淀法制得的Mn-Ce复合氧化物进行了物相结构和脱氧活性研究。     

Kinetic study of the reaction of CH3O with Br and Br2

The title reactions have been studied at room temperature by applying the discharge flow method coupled with laser induced fluorescence detection of methoxy radicals and resonance fluorescence detection of bromine atoms. The following rate constants were determined: CH₃O + Br Õ products (1) k ₁ (298 K) = (3.4 ± 0.4 (1)) × 10¹³ cm³ mol^-1 s^-1, CH₃O + Br₂ Õ products (2) k ₂ (298 K) £ 5 × 10⁸ cm³ mol^-1 s^-1.     

钴铈复合金属氧化物催化剂上氧化亚氮催化分解性能研究

采用共沉淀法制备了一系列钴铈复合金属氧化物催化剂CoCex(x=0～0.2,x为Ce/Co摩尔比),进行了比表面积和XRD表征,并考察了它们对氧化亚氮催化分解反应的活性.结果表明,随着铈添加量的增加,催化剂上钴尖晶石相的衍射峰逐渐宽化,同时催化剂的比表面积逐渐增大;催化剂的活性随着铈添加量的增加先升高,然后下降,CoCe0.05催化剂表现出了最佳催化活性.在对CoCe0.05催化剂制备条件的考察实验中发现,共沉淀过程中控制pH值在9左右,于400 ℃焙烧得到的催化剂的活性最好.当反应气氛中存在O2或H2O时,CoCe0.05催化剂上N2O的分解反应受到抑制,但这种影响是可逆的,可能是由于它们与N2O在相同的活性位上存在竞争吸附.     

Cr_2O_7~(2-)对B-Z振荡反应的影响及其分析应用

研究了Cr2O72-对B-Z化学振荡反应的影响.结果表明,Cr2O27-的加入明显改变该振荡反应的诱导期,且诱导期的改变值Δtin与所加入Cr2O72-的浓度有良好的线性关系,线性范围3.45×10-6~6.20×10-4mol·L-1,相关系数为0.9992,对Cr2O72-扰动B-Z振荡反应的机理进行了探讨.     

Liquid-liquid Extraction System Based on Non-ionic Surfactant-salt-H_2O and Mechanism of Drug Extraction

The utilization of solid-liquid extraction system based on polymer-(NH4)2SO4 -H2O on separation of metal ions and bio-active substances has been summarized1. Cloud point extraction (CPE) benefits the environment and has been used in separation of metal chelates, biomacromolecules and in pretreatment of environmental samples2-4. In a 10 mL color comparison tube 20% PEG-1000 and 2.5 g (NH4)2SO4 were chosen as phase separation condition at pH 5.5. The average extraction efficiencies we…     

热解-还原法制备单分散Fe3O4亚微空心球

在用模板法水解FeCl3制备单分散聚(苯乙烯-共-丙烯酸)/Fe2O3[P(St-co-AA)/Fe2O3]核壳粒子的基础上, 于N2环境下热解内核直接得到了单分散的磁性Fe3O4亚微空心球. 用透射电镜(TEM)、场发射扫描电镜(FESEM)、X射线衍射(XRD)、振动样品磁强计(VSM)表征并测试了空心微球的结构形貌、成分以及静磁性能. 结果表明, P(St-co-AA)/Fe2O3核壳粒子在热处理过程中, 由于内核热解生成的有机小分子将Fe2O3 壳层同时还原为Fe3O4, 从而生成了粒径和壁厚均匀的单分散Fe3O4亚微空心球. 该空心微球在室温下的饱和磁化强度、剩余磁化强度和矫顽力分别为50.91 A·m2·kg-1、3.97 A·m2·kg-1和2.33 kA·m-1.