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101.
102.
在对木聚糖来源及其结构进行分类比较的基础上,采用分子动力学模拟方法及Materials Studio 4.0软件对蔗渣木聚糖及木糖单元等进行微观模拟计算.通过原子净电荷、电子密度和Fukui函数分析等分析方法,对蔗渣木聚糖的木糖单元进行结构优化,得到了蔗渣木聚糖的木糖单元优化构型的键长、键角和电荷密度.木糖单元原子的Hirshfeld净电荷与Fukui函数分析数据表明,木糖单元的活性中心主要在C(3)上的羟基位置,且羟基氧原子易受亲电试剂的攻击,羟基氢原子易受亲核试剂的攻击.对蔗渣木聚糖单分子链及无定形结构进行模拟,得到了蔗渣木聚糖的微观结构模型,显示蔗渣木聚糖分子具有链状结构,大致呈螺旋状.获得了蔗渣木聚糖的最优化无定形结构,并通过计算得到了其最优化无定形结构的X射线衍射图谱.研究结果为系统探讨蔗渣木聚糖及其衍生物的结构与性能关系奠定了基础. 相似文献
103.
The incorporation of europium-substituted polyoxometalate (PM) into chiral amphiphiles is attractive for the fabrication of multifunctional chiral luminescent liquid crystalline materials. Chiral amphiphiles acted as good promoters to trigger the achiral PM to show induced supramolecular chirality through electrostatic interactions, as illustrated by circular dichroism (CD) spectra. Differential scanning calorimetry (DSC), polarized optical microscopy (POM), and temperature-dependent X-ray diffraction (XRD) analysis confirmed that the organic/inorganic hybrid polyoxometalate complex exhibited thermotropic mesomorphic behaviors. In a cast film, the complex displayed intrinsic luminescence that could be adjusted by accurately controlling the temperature. The electrostatic encapsulation of PM with chiral mesomorphic promoters provides an effective method for constructing PM-based chiral luminescent liquid crystalline materials. 相似文献
104.
Chenlu Zhang Xing Li Zhongshan Chen Tao Wen Shuyi Huang Tasawar Hayat Ahmed Alsaedi Xiangke Wang 《中国科学:化学(英文版)》2018,61(3):281-293
An extremely effortless method was applied for successful synthesis of mesoporous carbonaceous materials(MCMs) using well-ordered mesoporous silica as template. Various characterizations(scanning electron microscopy(SEM), transmission electron microscopy(TEM), X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FT-IR), Raman, X-ray photoelectron spectroscopy(XPS), Brunner-Emmet-Teller(BET) and Zeta potential) confirmed that MCMs had large surface area, uniform pore size distribution, and abundant oxygen-containing functional groups. The batch techniques were employed to study U(VI) adsorption on MCMs under a wide range of experiment conditions. The adsorption kinetics of U(VI) onto MCMs were well-fitted by pseudo-second-order kinetic model, indicating a chemisorption process. The excellent adsorption capacity of MCMs calculated from the Langmuir model was 293.95 mg g~(-1) at pH 4.0. The FT-IR and XPS analyses further evidenced that the binding of U(VI) onto MCMs was ascribed to the plentiful adsorption sites(–OH and –COOH groups) in the internal mesoporous structure, which could efficiently trap guest U(VI) ions. The results presented herein revealed that MCMs were ideal adsorbents in the efficient elimination of uranium or other lanthanides/actinides from aqueous solutions, which would play an important role in environmental pollution management application. 相似文献
105.
106.
LiNi0.8Co0.2O2 / MWNTs复合物超级电容器电极材料的研究 总被引:2,自引:0,他引:2
Multiwalled carbon nanotubes (MWNTs) were used as the conductive additive in the electrode materials. The electrochemical properties of supercapacitors based on LiNi0.8Co0.2O2 / MWNTs composite and LiNi0.8Co0.2O2/acetylene black composite and MWNTs in 1.0 mol·L-1 LiClO4 / EC+DEC [V(EC)∶V(DEC)=1∶1] electrolyte were investigated by means of constant charge/discharge current tests, respectively. The experimental results show that the LiNi0.8Co0.2O2 / MWNTs composite has better performance than that of others, and the maximum specific capacitance of the supercapacitor can reach 271.6 F·g-1, while the energy density is up to 339.5 Wh·kg-1. Furthermore, it is remarkable that the performance of MWNTs is better than that of acetylene black as the conductive additive. 相似文献
107.
Er3+,Ho3+和Tm3+在硫氧化钆中的余辉发光 总被引:1,自引:0,他引:1
The new Er^3 , Ho^3 and Tm^3 doped gadolinium oxysulfide phosphors with the long afterglow emission were synthesized by solid-state reaction method. The synthesized phosphors were characterized by X-ray diffraction. The excitation and photolumineseenee spectra, afterglow spectra and afterglow decay curve were examined by fluorescence spectroscopy. The afterglow spectra of Gd2O2S:Er^3 , Mg, Ti showed typical transitions of Er^3 at 528(2H11/2→4I15/2), 548 (^4S3/2 →^4I15/2) and 669 nm (^4F9/2→^4I15/2). In the afterglow spectra of Gd2O2S: Ho^3 , Mg, Ti,typical transitions of Ho^3 at 546 nm (^5S2→^5I8), 651 and 661 nm (^2F5→^5I8) were observed. In Gd2O2S:Tm^3 , Mg,Ti, the afterglow emission at 800 nm (^1G4→^3H5) of Tm^3 was seen. The meehnism and model of afterglow energy transfer were proposed. 相似文献
108.
109.
现场热引发聚丙烯酸酯类电解质的性能及应用 总被引:3,自引:0,他引:3
应用热引发现场聚合方法制备聚丙烯酸酯类电解质,并考察其电化学性能.实验表明:该聚合物电解质具有 4. 5V的电化学稳定窗口,较高的室温电导率及良好的低温性能.当前驱体电解液中液态电解质含量为 85%时,其室温电导率为 3. 2×10-3S·cm-1, -30℃下的电导率达到 5. 6×10-4 S·cm-1.采用现场聚合技术制备的聚合物电池,其电化学性能与液态锂离子电池基本一致,首次充放电效率为 92. 1%, 1. 0C率放电容量为 0. 2C率的 95%, -20℃下的放电容量为室温容量的 72%,以 0. 5C率循环 300周后,仍保持初始容量的 85%以上. 相似文献
110.
将全甲基-β-环糊精、全戊基-β-环糊精及二者的混合液分别静态涂渍在氯化钠粗糙化的弹性石英毛细管内壁.为提高固定相的色谱性能,将环糊精衍生物与OV-1701按1∶4的质量比相混合,制备手性柱.对毛细管的特性、固定相的极性进行了测试,并对手性化合物(±)茚满醇、DL-丙氨酸、DL-缬氨酸、(±)乙酸二氢香芹酮等难分离物质对进行了拆分.结果表明,三种手性固定相均属于中等极性,具有较好的分离性能和成膜能力.分离效果表明,混合固定相对手性化合物及难分离物质对的分离存在协同效应. 相似文献