Preparation and Crystal Structure of KFeCl3 and KFeBr3

The preparation and crystal structures of anhydrous KFeCl₃ and KFeBr₃ are described. X-ray diffraction data obtained at room temperature indicate that the two compounds belong to the orthorhombic system, space group Pnma and z = 4. Unit cell parameters are a = 8.712 Å, b = 3.845 Å, c = 14.15 Å for KFeCl₃ and a = 9.220 Å, b = 4.026 Å, c = 14.899 Å for KFeBr₃. Atomic positions were determined.     

Effect of Precursor and Solvent on Morphology of Zirconia Nanoparticles Produced by Combustion Aerosol Synthesis

Zirconia nanoparticles were synthesized using a flame-based system involving spray droplet combustion of different precursor solutions. The characteristics of the feed were varied by varying the precursor compound, precursor concentration, and solvent type, and by using droplets of different mean sizes. When large droplets were used, agglomerated particles were formed when an organometallic precursor was used and large cenospheric particles were produced when an inorganic precursor was used. Reduction of the droplet size to a number-mean droplet diameter of 3.2 μm resulted in the production of solid spherical particles regardless of the precursor type. When an inertial impactor was used to eliminate droplets larger than 2.3 μm, the large particles in the final product were eliminated and uniformly sized solid zirconia particles having a smaller mean size were produced. The final particle size did not vary with the concentration of the precursor, indicating that multiple ceramic particles resulted from each precursor-containing droplet.     

Prediction of Experimental Methanol Decomposition Rates on Platinum from First Principles

A microkinetic model for methanol decomposition on platinum is presented. The model incorporates competitive decomposition pathways, beginning with both O–H and C–H bond scission in methanol, and uses results from density functional theory (DFT) calculations [Greeley and Mavrikakis, J. Am. Chem. Soc. 124 (2002) 7193, Greeley and Mavrikakis, J. Am. Chem. Soc. 126 (2004) 3910]. Results from reaction kinetics experiments show that the rate of H₂ production increases with increasing temperature and methanol concentration in the feed and is only nominally affected by the presence of CO or H₂ with methanol. The model, based on the values of binding energies, pre-exponential factors and activation energy barriers derived from first principles calculations, accurately predicts experimental reaction rates and orders. The model also gives insight into the most favorable reaction pathway, the rate-limiting step, the apparent activation energy, coverages, and the effects of pressure. It is found that the pathway beginning with the C–H bond scission (CH₃OH→H₂COH→HCOH→CO) is dominant compared with the path beginning with O–H bond scission. The cleavage of the first C–H bond in methanol is the rate-controlling step. The surface is highly poisoned by CO, whereas COH appears to be a spectator species.     

Absorption of carbon dioxide in alkanolamines in the presence of fine activated carbon particles

The rates of absorption of CO₂ into water and 0.1 kmol/m³ aqueous solutions of MEA, DEA and AMP were measured in a stirred cell with a flat gas-liquid interface in the presence of fine activated carbon particles. Experiments showed that the rates of absorption increased significantly with increases in the loading of activated carbon up to about 6 kg/m³ and thereafter remained constant.     

Studies on sulfur vulcanization of natural rubber accelerated combinedly with 2-mercaptobenzothiazole and diphenylguanidine both in presence and absence of dicumyl peroxide

Sulfuration of natural rubber (NR) by the binary accelerator 2-mercaptobenzothiazole (MBT) and diphenylguanidine (DPG) both in presence and in absence of ZnO and stearic acid with or without dicumylperoxide (DCP) was studied in detail. It was observed that the rate of decomposition of DCP in presence of both MBT and DPG is quite similar to that with MBT alone. The reduction of crosslinking depends also on MBT only. Through DPG has no influence on the decomposition rate, it reacts with MBT during the vulcanization process and suppresses the retardation caused by MBT on the DCP vulcanization. In accordance with the initial additiveness of crosslinking in systems containing DCP, the free sulfur decrease, and the rapidity of crosslink formation the vulcanization process of MBT-DPG-S-NR systems was interpreted in terms of a polar mechanism induced by the complex MSH₂NR′R″. In mixtures containing DCP together with sulfur, MBT, DPG, ZnO, and stearic acid, the initial stage of crosslinking is additive as indicated by a mixed reaction as well as by a methyl iodide treatment of the vulcanizates. Comparison with single accelerators shows a pronounced synergistic effect. This is because of the enhanced activity of the MBT-ZnO-stearic acid complex due to DPG which also induces polar sulfuration of NR by forming the active complex MSH₂NR′R″. In presence of ZnO and stearic acid, DCP cannot increase the net crosslink density but suppresses the reversion so much pronounced in its absence.     

Synthesis of AlPO4 Molecular Sieves with AFI and AEL Structures by Dry-Gel Conversion Method and Catalytic Application of Their SAPO Counterparts on Isopropylation of Biphenyl

AlPO₄-5 and AlPO₄-11 were synthesized by dry-gel conversion (DGC) method. Steam-assisted conversion (SAC) and vapor-phase transport (VPT) techniques were applied for this purpose. The synthesis was successful in presence of a certain minimum amount of external bulk water, without which the crystallization failed. Crystallization by VPT method was slower than corresponding SAC and HTS method. SAPO analogs of the samples, SAPO-5 and SAPO-11 were also synthesized by DGC method. Samples made by DGC methods had higher yield than the conventional hydrothermal synthesis (HTS); otherwise the samples showed similar characteristics as that made by HTS. XRD, SEM and N₂-adsorption results showed high crystallinity and purity of the samples made by DGC, and ²⁷Al MAS NMR spectra indicated the tetrahedral framework nature of Al. SAPO-5 and SAPO-11 were tested for their catalytic activity in isopropylation of biphenyl, and in terms of conversion and selectivity, SAPO-5 was found to be suitable for this application.     

Melt‐processable rubber: Chlorinated waste tire rubber‐filled polyvinyl chloride

Chlorinated ground rubber tire (Cl‐GRT) particles were used as filler in a plasticized polyvinylchloride (PVC) to develop a melt‐processable rubber composition. Physical properties of the Cl‐GRT‐filled PVC compound showed improvement compared to the nonchlorinated counterpart. Interaction between Cl‐GRT and PVC was examined on the basis of results of stress relaxation, dynamic mechanical thermal analysis, and solvent swelling studies. The Cl‐GRT could be loaded upto 40 parts per hundred parts of PVC, and the composition still retains the elastomeric characteristics. The Cl‐GRT‐filled composite was found to be reprocessable like the unfilled PVC compound. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 84: 622–631, 2002; DOI 10.1002/app.10352     

Product recommendation for e-commerce business by applying principal component analysis (PCA) and K-means clustering: benefit for the society

Innovations in Systems and Software Engineering - Recommender system is a computer-based intelligent technique which facilitates the customers to fulfill their purchase requirements. In addition to...     

高速公路施工区车辆强制换道耗时生存模型

为研究高速公路施工区车辆强制换道行为及其影响因素,采用生存分析中的半参数分析方法建立强制换道耗时的乘法风险率模型.通过无人机拍摄采集高速公路施工区的车辆换道耗时及其影响因素数据,最终确立换道耗时Cox比例风险模型,对换道耗时数据进行Cox回归建模分析.结果表明:近77%的换道车辆在10 s内完成换道;小型车和中型车经养护施工区的换道耗时未发现显著性差别;对于相同的换道耗时,平峰期的累积生存率明显低于高峰期和过渡时期,而高峰期的累积生存率最高.建立的强制换道耗时生存模型可有效的定量分析车型和交通时段对高速公路施工区车辆换道行为的影响,可为高速公路施工区交通管理控制及车辆换道行为建模及仿真奠定一定的理论基础.     

Near infrared light-induced disassembly of polymeric micelles based on methylene blue conjugated polyethylene glycol

Light-sensitive drug delivery systems are considered ideal for applications in the biomedical fields for their ability to release the payload in an on-demand spatiotemporal controlled manner through the manipulation of the light source. Among the broad radiation spectrum, near infrared (NIR) light is considered advantageous compared to UV and visible light, due to its inherently lower photodamage to normal tissues and deeper penetration to lesion areas. In this study, we report a successful synthesis of a polymer capable of undergoing partial degradation upon irradiation with NIR light by conjugating 10-N-carbamoyl linkage methylene blue (MB) moiety, a NIR photocleavable ligand, with polyethylene glycol (PEG). Through effective coupling of MB, a hydrophobic moiety, to the hydrophilic PEG molecule, an amphiphilic polymer was synthesized, as demonstrated by a lowered surface tension (55 mN/m at 0.1% wt/vol). Subsequently, photo-induced reversal of surface activity associated with self-assembled structure disruption, was displayed by surface tension measurements, size distribution analysis, and burst release profile of paclitaxel (PTX) from polymeric micelles upon the exposure to NIR irradiation.