Numerical calculations of effective thermal conductivity of porous ceramics by image-based finite element method

The effective thermal conductivity of heterogeneous or composite materials is an essential physical parameter of materials selection and design for specific functions in science and engineering.The eff...     

固载化卡宾催化剂合成1,3-二羟基丙酮

通过一种由二氧化硅或聚苯乙烯树脂固载化的卡宾催化剂催化甲醛缩合制备1,3-二羟基丙酮(DHA),在合成过程中不使用含有卤素的溴化3-乙基苯并噻唑盐和有毒有害的三乙胺,同时催化剂能够分离回收重复使用。在N2保护下,考察了反应温度、反应时间和不同溶剂对产物1,3-二羟基丙酮收率的影响。采用HLPC分析方法对DHA定量分析,在反应温度140℃,反应时间3 h和以二氧六环为溶剂的体系中,甲醛转化率可达100%,1,3-二羟基丙酮选择性为92.37%,并通过~1HNMR,~(13)CNMR及IR光谱分析确证了化合物的结构。     

Evaluation of pH‐treated fish sarcoplasmic proteins on rheological properties of fish myofibrillar protein mediated by microbial transglutaminase

Fish sarcoplasmic protein (SP) could be exploited in the water‐holding agent for fish protein gels, except that the gel strength is reduced. The adjustment of pH could modify protein interactions to overcome the inferior effect. Fish SP solutions were adjusted to pH 3 or 12, neutralised to pH 7 and lyophilised to be pH‐treated SPs. These SPs along with lyophilised untreated SP (Normal SP) were incorporated into fish myofibrillar protein (MP) with microbial transglutaminase (MTG). The denaturation temperature (T_d) of MP mixed with normal SP was 66 °C with the lowest shear stress value. The denaturation of MP mixed with pH‐treated SP reduced to be 57 °C, resulting in increased shear stress. The cooking loss of MP gel was reduced by adding pH‐treated SPs, while the breaking forces were similar to control. The result indicated that pH‐treated SPs could be used to reduce cooking loss of MTG‐mediated MP gels without affecting the gelling properties.     

Geopolymerization reaction,microstructure and simulation of metakaolin-based geopolymers at extended Si/Al ratios

Metakaolin-based geopolymers were synthesized at Si/Al ratios of 1:1, 1.5:1, 2:1, 3:1, 4:1, and 5:1 by using silica fume as silica corrector to alter Si ratios. The microstructure and strength of these geopolymers were characterized through XRD, SEM, NMR and compressive strength measurements. The dissolving rates of Al and Si species in geopolymerization were measured, and freeze-dried N-A-S-H gel was characterized by FTIR spectra. Modelling and simulation were employed to calculate the binding energy of one Si atom and the total energy of geopolymers formed at various Si/Al ratios. At Si/Al ratio of 2:1, high concentrations of Si and Al species are dissolved from precursors, high contents of Si-O-T linkages are formed and the geopolymer is of high compressive strength. The mechanical strength of geopolymers at various Si/Al ratios is dependent on the formation of N-A-S-H gel, rather than the zeolitic nuclei or silicate derivatives. This study might provide fundamentals for the geopolymerization of mine tailings, which usually possess high Si/Al ratios.     

Synthesis based structural and optical behavior of anatase TiO2 nanoparticles

The effect of synthesis method on optical and photoconducting properties of titanium dioxide (TiO₂) nanoparticles has been investigated. Sol–gel and co-precipitation methods have been employed to prepare pure anatase phased TiO₂ nanoparticles calcinated at different temperatures below 500 °C. The optimized value of average crystallite size is within the range of 19−21 nm for a common calcination temperature of 400 °C for both the methods. The redshift in optical band gap of 0.9 eV has been observed for the sample synthesized by co-precipitation method with respect to the sol–gel method. The photoluminescence spectrum exhibits broad visible emission in both routes of synthesis while photoconductivity shows fast growth and decay of photocurrent in TiO₂ prepared by co-precipitation method as compared to TiO₂ prepared by the sol–gel method under visible illumination. Crystal structure based Rietveld refinement of X-ray diffraction data, scanning electron microscopy as well as photoluminescence and photoconductivity measurements were performed to characterize nanocrystalline anatase TiO₂.     

Identification of diffusion parameters in a non-linear convection–diffusion equation using adaptive homotopy perturbation method

This paper is concerned with the numerical identification of diffusion parameters in a non-linear convection–diffusion equation, which arises as the saturation equation in the fractional flow formulation of the two-phase porous media flow equations. In order to overcome the defect of the local convergence of traditional methods, an adaptive homotopy perturbation method is applied to solve this parameter identification inverse problem. The adaptive homotopy perturbation method provides a simple way to adapt computational refinement to the choice of the homotopy parameter. Numerical simulations illustrate that the proposed algorithm is globally convergent and computationallyefficient.     

MTMS基SiO_2气凝胶的制备及其影响因素

以甲基三甲氧基硅烷(MTMS)为前驱体,通过酸碱两步溶胶凝胶法,常压干燥制备了SiO2气凝胶,综合研究了反应条件对气凝胶导热系数,堆积密度,比表面积和孔径的影响,利用FT-IR分析了SiO2气凝胶的化学结构。     

Sol–gel synthesized Titania nanoparticles deposited on porous polycrystalline silicon: Improved carbon dioxide sensor properties

Titania nanoparticles (TNPs) were synthesized by a sol–gel method in our laboratory using titanium tetrachloride as the precursor and isopropanol as the solvent. The particles׳ size distribution histogram was determined using ImageJ software and the size of TNPs was obtained in the range of 7.5–10.5 nm. The nanoparticle with the average size of 8.5 nm was calculated using Scherrer׳s formula. Homogeneous and spherical nanoparticles were characterized by X-ray diffraction (XRD), atomic force microscopy (AFM), field emission scanning electron microscopy (FESEM) and UV–visible spectroscopy (UV–vis). The X-ray powder diffraction analysis showed that the prepared sample (TNPs) has pure anatase phase. TNPs were deposited on porous polycrystalline silicon (PPS) substrate by electron beam evaporation. The TNPs thickness was 23±2 nm at 10⁻⁵ mbar pressure at room temperature. Porosity was performed by an anodization method. Since polycrystalline silicon wafers consist of different grains with different orientations, the pore size distribution in porous layer is non-uniform [1]. Therefore, the average diameter of pores can be reported in PPS layer analysis. Average diameter of pores was estimated in the range of 5 μm which was characterized by FESEM. The nanostructured thin films devices (Al/Si/PPS/TNPs/Al and Al/Si/PPS/Al) were fabricated in the sandwich form by aluminum (Al) electrodes which were also deposited by electron beam evaporation. Electrical measurements (I–V curves) demonstrated the semiconducting behavior of thin film devices. The gas sensitivity was studied on exposure to 10% CO₂ gas. As a result, conductivity of devices increased on exposure to CO₂ gas. The device with TNPs thin film (Al/Si/PPS/TNPs/Al) was more sensitive and, had better response and reversibility in comparison with the device without TNPs thin film (Al/Si/PPS/Al).