Acyl-chloride functionalized graphene oxide chemically grafted with hindered phenol and its application in anti-degradation of polypropylene

In this study,graphene oxide (GO) nanosheets were first functionalized by the acyl-chloride reaction and then reacted with hindered phenol (HP) to obtain HP grafted GO (GO-g-HP).The GO-g-HP prepared under the optimized condition exhibited a high efficiency against both thermal and photo oxidation of isotactic polypropylene (iPP).GO-g-HP exhibited a much better anti-aging efficiency than that of HP and GO used individually or that of their physical mixture.The outstanding anti-aging effect of GO-g-HP was attributed to the excellent synergistic effect produced between the chemically bonded GO and HP,which resulted in an improved oxygen barrier property of GO and excellent utilization of the free radical scavenging capability of GO and HP.Also,thanks to the grafting of HP on GO,the physical loss of HP,which was one of the main shortcomings for traditional small molecular antioxidants,was largely suppressed.It is expected that the GO-g-HP prepared can well meet the requirement of long-term applications of polymers in some harsh service conditions.     

双层钙钛矿Sr2FeMoO6，Ba2FeMoO6的电磁性质研究

分析了双层钙钛矿结构的锰氧化合物Sr2FeMoO6,Ba2FeMoO6物相结构和电磁学性质,对巨磁阻效应进行了探讨,揭示了Sr2FeMoO6样品为半导体导电性,Ba2FeMoO6样品为金属导电性.     

椭圆偏振法研究四方氧化锆对Zr-Sn-Nb合金氧化膜耐腐蚀性能的影响

将经过不同热处理的Zr-Sn-Nb合金样品放在350℃、16．8mol／LPa、0．01mol／LLiOH溶液的高压釜中进行腐蚀。用椭圆偏振法研究氧化膜中的四方氧化锆，发现经过580℃／冷轧／500℃处理的样品在腐蚀42天和190天后氧化膜中的四方氧化锆比其它样品的多。四方氧化锆是影响合金耐腐蚀性能的一个主要因素，四方氧化锆的形成有利于提高合金的耐腐蚀性能。     

针形锂电池CR425的研制

采用Li—MnO2电池材料和工艺制造CR425锂电池．重点对正极活性物质的加工制备及电池组装工艺进行了试验和改进．通过XRD试验测试了热处理前后电解二氧化锰(EMD)的结构，对制备的电池在不同温度下进行恒电流和恒电阻放电，并对贮存1周、3个月和6个月电池的开路电压、短路电流、内阻及放电容量进行了测试．结果表明，电池性能完全满足CR425锂电池的技术要求，可作为夜间钓鱼时的发光浮标或商务通用笔夜间使用时的照明电源．     

双金属氧化物和氧化物载体组分间的相互作用

讨论了一些过渡金属氧化物（NiO,CuO或MoO3)在经改性所得复合载体（TiO2-γ-Al2O3，MoO3-t-ZrO2或NiO-t-ZrO2)上的分散作用，这些三地体系中实验测定的氧化物分散容量与研究负载型二元氧化物体系所得嵌入模型的估算值基本相符；样品的表面组成、结构和性能与载体的表面结构、过渡金属氧化物的负载量和加料顺序以及焙烧温度密切相关。     

负载型金属氧化物常温精脱硫剂的制备与表征

以γ—Al2O3为载体，用浸渍沉淀法制备复合金属氧化物脱硫剂，添加竞争吸附剂得到高分散、均匀型金属氧化物精脱硫剂。常温、缺氧条件下精脱H2S穿透硫容可达16．8％．采用EP、TEM技术分析了金属氧化物活性组分的均匀分布及脱硫前后的脱硫剂微表面的变化。     

微乳液介质中5''-硝基水杨基荧光酮光度法测定微量锰

研究了在混合微乳液介质中 ,Mn(Ⅱ) - 5’ -硝基水杨基荧光酮 (5’ -NSF)的显色反应 ,在pH =9.5～ 10 .5的硼砂缓冲体系中 ,Mn(Ⅱ)与 5’ -NSF形成 1∶2的紫红色配合物 ,ε548=1.4 4× 10 5L·mol- 1 ·mL- 1 ,锰质量浓度在 0～ 0 .2 8mg·L- 1 范围内服从比尔定律。该方法用于岩石矿物及水中微量锰的测定 ,结果满意     

硫酸锰深度净化的研究

对用锰粉去除工业硫酸锰中杂质进行了探讨实验,结果表明:控制反应温度90℃,锰粉加入量1.9%,反应时间4 h,静置时间48 h后,工业二级硫酸锰可净化达到肥料级、饲料级硫酸锰产品标准。     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.