Organic additive implantation onto cement hydration products

In polymer modified cementitious materials, it is hard to set up a chemical connection between the added polymer and the cement moiety. In this study FS （functional silane） was adopted to form this connection as a bridge component which has the functional group forming bonds with polymer. To testify the connection between FS and cement moiety, Q2/Q1 ratio （Qx： intensity ratio） investigation was carried out by the means of quantitative solid state 29Si MAS NMR. The results show that the Q2/Q1 ratio has increased with the addition of FS which indicates that the silicon chain length has increased, and the quantity of silicon atoms at site of Q2, chain site, has enhanced, showing that the silicon atom of FS has connected to the silicon chain of cement moiety by the bond ＂-Si-O-Si-＂ formation.     

Theoretical Study on the C-H Activation in Decarbonylation of Acetaldehyde by NiL_2(L=SO_3CH_3) Using Density Functional Theory

Density functional theory calculations were carried out to explore the potential energy surface(PES) associated with the gas-phase reaction of Ni L2(L=SO3CH3) with acetone. The geometries and energies of the reactants, intermediates, products and transition states of the triplet ground potential energy surfaces of [Ni, O, C2, H4] were obtained at the B3LYP/6-311++G(d,p) levels in C,H,O atoms and B3LYP/ Lanl2 dz in Ni atom. It was found through our calculations that the decabonylation of acetaldehyde contains four steps including encounter complexation, C-C activation, aldehyde H-shift and nonreactive dissociation. The results revealed that C-C activation induced by Ni L2(L=SO3CH3) led to the decarbonylation of acetaldehyde.     

稀土元素对Ni-Cr-Al合金高温氧化影响机理的研究

采用第一性原理赝势平面波方法,通过Materials Studio软件中的Castep模块,建立Al2O3晶胞,稀土元素Y的加入有助于控制Al2O3或Cr2O3的生长速度,减少氧化薄膜和基体间形成空洞,从而提高氧化薄膜的粘附性.稀土元素La的加入与S形成化合物,消除S对基体产生的不良反应,改善了氧化薄膜的粘附性.     

含氮、磷有机配体对(CdSe)_2量子点结构和电子性质的影响

使用密度泛函理论方法研究了量子点(CdSe)2与配体L(L=PH3、PH2Me、PHMe2、PMe3、NH3、NH2Me、NHMe2、NMe3)之间的相互作用及其产物的结构和性质。配体中的P或N原子与Cd原子上分别形成较强的Cd—P和Cd—N配位键,从而影响(CdSe)2的结构和电子性质。配体作用下,(CdSe)2的几何结构、电荷分布、轨道能级、吸收光谱等均发生变化,但2类配体的影响,尤其是甲基数目的影响,存在较大差异。     

多维度视角下的《黑人和美国梦》翻译述评

笔者近日翻译了美国黑人文学作品《黑人和美国梦》,在下文中,笔者将基于翻译的多维度视角,对自己的翻译文本做简要的评述。     

胺基咪唑功能离子液体［ NH2 e-mim ］［ BF4］的合成与制备

胺基咪唑功能离子液体在固定CO2方面具有独特的优势,但其合成制备步骤复杂,产率低,成本高等局限了它的广泛应用。采用两步合成法合成了1-（1-胺乙基）-3-甲基咪唑氟硼酸盐（[ NH2 e-mim][ BF4]）,通过核磁共振和红外光谱进行结构表征,并测定了其纯度及密度、黏度、表面张力、电导率等物理化学性质。实验表明：离子液体（简称IL）合成最佳工艺条件是原料配比n（3-溴丙胺氢溴酸盐）/n（ N-甲基咪唑）＝1．1,以乙醇为溶剂,在343 K下反应24 h,减压蒸馏提纯;合成物胺的含量均在0．9355 mol NH2/mol IL以上,纯度较高;红外光谱法和核磁共振氢谱分析表明合成了目标产物,298 K下合成的产物的物化性质与文献报道的相近。     

从功能语境视角看“非遗”旅游外宣的翻译--以扬州非物质文化旅游外宣汉英翻译为例

对非物质文化遗产进行旅游开发,可以对其起到积极有效的保护,也有助于对其进一步挖掘与完善,以及促进文化的对外输出。非物质文化遗产因其深厚的文化底蕴而具有独特性,在外宣中如何进行汉英翻译以吸引更多的国际游客,是摆在我们面前一个亟待解决的问题。对扬州非物质文化遗产旅游资源及其汉英翻译现状进行调查研究,结合功能语境视角下专门用途英语翻译理论,探讨其汉英翻译,可以为扬州非物质文化遗产旅游外宣翻译提供参考。     

基于功能语境视角下的非物质文化遗产外宣归化异化翻译——以扬州大运河外宣翻译为例

非物质文化遗产的外宣翻译和国家当前提出的"文化走出去战略"不谋而合。归化异化翻译理论更适合于翻译中文化因素的处理已得到了翻译界的认可。文章以扬州大运河非物质文化遗产外宣翻译为研究对象,针对非遗外宣翻译的目的及特点,以功能语境理论为指导方针,以归化异化翻译为手段,来探讨非物质文化遗产的外宣翻译。     

Atomic layer deposition of GDC cathodic functional thin films for oxide ion incorporation enhancement

In this paper, we report successful fabrication of a gadolinia-doped ceria (GDC) thin film using atomic layer deposition (ALD) for improving the performance of solid oxide fuel cells (SOFCs). By varying the deposition conditions and adjusting the configuration of the ALD supercycle, the doping ratio of ALD GDC was controlled. The morphology, crystallinity, and chemical composition of ALD GDC thin films were analyzed. ALD GDC showed different surface chemistry, including oxidation states, at different doping ratios. The application of ALD GDC in a SOFC led to an output power density enhancement greater than 2.5 times. With an anodic aluminum oxide (AAO) porous support structure, an ALD GDC thin film SOFC (TF-SOFC) showed a high power density of 288.24 mW/cm² at an operating temperature of 450°C.     

IR transmission prediction,processing, and characterization of dense La2Ce2O7

High-throughput computation, based on density functional theory (HT-DFT), is used to predict the bounds for optical transparency, from the ultraviolet to the infrared, for materials in the pyrochlore family. The HT-DFT approach adopted here uses an initial screening from Materials-Project database, with millions of calculated properties. Band gaps and phonon spectra were calculated from selected pyrochlore crystal structures taken from the Materials Project database. Short and long wavelength bounds for optical transparency were calculated for chemistries with stable, cubic structures. The calculations predict that La₂Ce₂O₇ has one of the broadest range of transparency for the pyrochlore family. Based on these calculations, dense polycrystalline samples of La₂Ce₂O₇ were produced by sintering and hot-isostatic pressing. Transparency was characterized by methods that did not require large samples with high optical quality, obtaining 7.15 and 7.5 µm at 95% and 90% normalized transmittance, respectively. Bandgap calculations suggest a lower bound of UV transparency cut-off of 0.3 µm. The infrared wavelength cut-off is higher than that reported for other pyrochlores, and higher than for yttria, zirconia, or other common infrared transparent ceramics. We discuss our prediction and characterization methods as well as the suitability of pyrochlores for mid- and far-infrared optical applications.