工业废渣磷石膏用作充填材料的研究

研制了以工业废渣磷石膏为基材的充填材料.改性后磷石膏的耐水性大大增强,抗压强度≥0.79 MPa、渗透系数≤1×10-5cm.s-1,并且具有合适的C、Φ值.     

Collaborative representation with reduced residual for face recognition

Collaboration representation-based classification (CRC) was proposed as an alternative approach to the sparse representation method with similar efficiency. The CRC is essentially a competition scheme for the training samples to compete with each other in representing the test sample, and the training class with the minimum representation residual from the test sample wins the competition in the classification. However, the representation error is usually calculated based on the Euclidean distance between a test sample and the weighted sum of all the same-class samples. This paper exploits alternative methods of calculating the representation error in the CRC methods to reduce the representation residual in a more optimal way, so that the sample classes compete with each other in a closer range to represent the test sample. A large number of face recognition experiments on three face image databases show that the CRC methods with optimized presentation residual achieve better performance than the original CRC, and the maximum improvement in classification accuracy is up to 12 %.     

Estimation of parameters where dependent observations are related by equality constraints

Pirt's model for microbial growth and product formation are reparameterized to obtain multiresponse models with common parameters. The dependent variables in the models are related through the available electron and carbon balance constraints. Covariance adjustment is used to reduce the growth model to a unit variate linear model with covariates. Therefore, standard multiple regression programs can be used to obtain combined point and interval estimates of true biomass energetic yield, true product yield and maintenance coefficient. This approach may yield “better” estimates than the maximum likelihood approach when an appropriately selected subset of covariates is used. Nonlinear estimation procedures are also considered; these procedures are efficient with few responses; however, as the number of responses per observation increase, they may require a lot of computing time. For illustration several data from the biochemical engineering literature are analyzed by the proposed methods.     

酸、碱性条件下茜素红紫外-可见光谱的量子化学研究

茜素红(ARS)是葸醌类化合物中茜草素型的一种,被广泛应用于电化学、光谱学等领域的研究。在酸性溶液中,茜素红主要在260 nm和422 nm处出现明显的吸收峰,而在碱性溶液中吸收峰移动到272 nm和556 nm。为了分析不同溶液环境对茜素红吸收峰波长的影响,本研究在杂化密度泛函方法B3LYP/6-311+(d)水平上优化了ARS分子在酸、碱性情况时的稳定基态构型,并采用含时密度泛函(time-dependent density functional theory,TD-DFT)方法模拟了ARS分子的电子吸收光谱。计算结果与实验得到的紫外可见吸收光谱相吻合,说明密度泛函理论用来研究茜素红的紫外可见光谱是有效可靠的。通过计算还确定了每个吸收峰对应的各个电子跃迁的贡献率以及Mulliken电荷分布。该理论与实验的结合研究为茜草素型化合物的进一步应用、分子设计、药物构效关系和化学反应规律的研究提供了重要的参考依据。     

Possible use of methylbenzenes as electrolyte additives for improving the overcharge tolerances of Li-ion batteries

Based on the voltammetric behaviour of a series of methyl-substituted benzenes in 1M LiPF₆/EC-DMC electrolyte, xylene was selected and tested as an electrolyte additive for overcharge protection of Li-ion batteries. From the overcharge curves, CV behaviour and SEM observations of the cells in the presence of xylene, it was found that the additive can polymerize at the overcharged voltage to form a dense layer of isolating polymer film at the cathode surface, which blocks off further oxidation of the electroactive material and electrolyte and, therefore, improves the overcharge tolerance of the Li-ion battery. In addition, the xylene additive has shown only a slight influence on the cycling behaviour.     

K_2O－CaO－Al_2O_3－SiO_2系统自释釉瓷化学组成的研究

本文从酸度系数着手，证实了Ｋ２Ｏ－ＣａＯ－Ａｌ４Ｏ久－ＳｉＯ２系统中存在自释釉组成，限定了其组成范围，０．６７％＜Ｋ２Ｏ＜１．２８％，１０．６４％＜ＣａＯ＜１３．６２％，１１．５３％＜Ａｌ４Ｏ３＜１５．３２％，７２．７３％＜ＳｉＯ２＜７４．０４％，并讨论了自释釉瓷的性能。     

A high propylene productivity over B2O3/SiO2@honeycomb cordierite catalyst for oxidative dehydrogenation of propane

Boron-based metal-free catalysts for oxidative dehydrogenation of propane (ODHP) have drawn great attention in both academia and industry due to their impressive activity and olefin selectivity. Herein, the SiO₂ and B₂O₃ sequentially coated honeycomb cordierite catalyst is designed by a two-step wash-coat method with different B₂O₃ loadings (0.1%-10%) and calcination temperatures (600, 700, 800 ℃). SiO₂ obtained by TEOS hydrolysis acts as a media layer to bridge the cordierite substrate and boron oxide via abundant Si-OH groups. The welldeveloped straight channels of honeycomb cordierite make it possible to carry out the reactor under high gas hourly space velocity (GHSV) and the thin wash-coated B₂O₃ layer can effectively facilitate the pore diffusion on the catalyst. The prepared B₂O₃/SiO₂@HC monolithic catalyst exhibits good catalytic performance at low boron oxide loading and achieves excellent propylene selectivity (86.0%), olefin selectivity (97.6%, propylene and ethylene) and negligible CO₂ (0.1%) at 16.9% propane conversion under high GHSV of 345,600 ml·(g B₂O₃)^-1·h^-1, leading to a high propylene space time yield of 15.7 g C₃H₆·(g B₂O₃)^-1·h^-1 by suppressing the overoxidation. The obtained results strongly indicate that the boron-based monolithic catalyst can be properly fabricated to warrant the high activity and high throughput with its high gas/surface ratio and straight channels.     

Kinetics for benzoylation of sodium 4-acetylphenoxide via third-liquid phase in the phase-transfer catalysis

In this research, the kinetics for synthesizing 4-acetylphenyl benzoate (R^*COOR) from benzoylation of sodium 4-acetylphenoxide via third-liquid phase-transfer catalysis was investigated. The reaction rate was observed to be strongly dependent on agitation speeds in the third-phase catalytic reaction. By forming the third-liquid phase, the observed reaction can be greatly enhanced to give a product yield of 100% in a duration of 3 min at 20 °C and 200 rpm. If a third-liquid phase was not formed in the liquid–liquid system, the reaction rate is very slow and the product yield is only 2% in 3 min at 20 °C. The reaction conducted in third-liquid phase-transfer catalytic system is faster than that in LLPTC system by 25–28 times. The amount of catalytic intermediate (QOR) in the third-liquid phase was about 50% of the catalyst initially added and kept about 30% of it remained after 1 min, and only small amounts of a catalytic intermediate residing in the organic phase were observed during the reaction using methyl t-butyl ether as the solvent. The concentration of catalytic intermediate slightly decreased with increasing reaction time, while the molar ratio of QOR to benzyl tri-n-butylammonium cation in the third-liquid phase remained almost constant after 1 min and increased with increasing agitation speeds. The experimental results were well described by the pseudo-first-order kinetics. The present work shows an effective method to synthesize 4-acetylphenyl benzoate.     

Synthesis and properties of cationic resins derived from aniline-modified epoxy resins and various amines

Aniline-modified epoxy resin which contains tertiary amine in the middle of the polymer chain was synthesized by the reaction of aniline and epoxy resin. The resulting aniline-modified epoxy resin and two commercial epoxy resins with different epoxy equivalent weights were reacted with 2-ethylhexanol-blocked toluene diisocyanate (2-EH-blocked TDI) to obtain thermally crosslinkable epoxy resins. These epoxy resins were subsequently reacted with various secondary amines and partially neutralized with acetic acid to give thermally crosslinkable cationic resins. The resulting cationic resins were dissolved in suitable solvents and mixed with deionized water to form emulsions. The crosslinking properties, emulsion, and electrodeposition properties of these resins were studied in some detail. The electro-deposition yields of the emulsions prepared from aniline-modified epoxy resins were higher than those of other emulsions. The crosslinked films prepared from aniline-modified epoxy resins were also glossier than those prepared from commercial epoxy resins. High deposition yield and high glossiness were the characteristic properties of the aniline-modified epoxy resins. Thermal properties were not affected by aniline-modified epoxy resins.     

Morphology and properties of blends of polypropylene with ethylene-propylene rubber

Great attention has been paid to the toughening of isotactic polypropylene (PP) in recent years in order to make full use of this plastic. This paper presents the results of our study on the compatibility of PP with ethylene-propylene-diene rubber (EPT), polybutadiene rubber (PB) or styrene-butadiene rubber (SBR) through characterization of the blends' morphology, and on. the morphology and properties of binary blends of PP with EPT (EPT/PP) and ternary blends of PP, EPT, and polyethylene (PE) (EPT/PE/PP). Morphological structure of solution blends and the great improvement in low-temperature impact strength and other properties of the mechanical blends have shown the difference among EPT, PB, and SBR in compatibility with PP, the effectiveness of using EPT as PP's toughening agent, and the effect of EPT on EPT/PP blend as both toughening agent and compatibilizer. Addition of EPT to EPT/PP made interesting changes in morphology but no effect on properties was observed.