Tensile properties of hollow glass bead‐filled polypropylene composites

The tensile properties of polypropylene (PP) filled with hollow glass beads have been measured at room temperature to identify the effects of the particle contents, size and its distribution on them in the present article. The mean diameters of the fillers were 11, 35, and 70 μm, and they were named as TK10, TK35, and TK70 respectively. The surface of these particles was pretreated with silane coupling agent. The results showed that the yield stress (σ_y) decreased gently for PP/TK70 systems, whereas decreased relatively obviously for PP/TK35 systems with increasing the volume fraction (?_f) of the fillers. When ?_f was less than 5%, the tensile strength at break (σ_b) of the composites increased with the increase of ?_f. When ?_f was more than 5%, σ_b was almost a constant for PP/TK70 systems, while σ_b decreased linearly for PP/TK35 systems. The tensile fracture strain (ε_b) of the composites decreased suddenly when ?_f was less than 5%, and then decreased slightly with increasing ?_f. When ?_f was 10%, σ_y and σ_b increased while ε_b decreased with the increase of the bead diameter. Furthermore, the σ_y was predicted by means an equation proposed in the previous work, and good interfacial adhesion was shown between the hollow glass beads and the matrix. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 104: 1697–1701, 2007     

LoVis: Local Pattern Visualization for Model Refinement

Linear models are commonly used to identify trends in data. While it is an easy task to build linear models using pre‐selected variables, it is challenging to select the best variables from a large number of alternatives. Most metrics for selecting variables are global in nature, and thus not useful for identifying local patterns. In this work, we present an integrated framework with visual representations that allows the user to incrementally build and verify models in three model spaces that support local pattern discovery and summarization: model complementarity, model diversity, and model representivity. Visual representations are designed and implemented for each of the model spaces. Our visualizations enable the discovery of complementary variables, i.e., those that perform well in modeling different subsets of data points. They also support the isolation of local models based on a diversity measure. Furthermore, the system integrates a hierarchical representation to identify the outlier local trends and the local trends that share similar directions in the model space. A case study on financial risk analysis is discussed, followed by a user study.     

Modelling and optimisation of a transketolase-mediated carbon-carbon bond formation reaction

In this paper, we have integrated process characterisation and reaction kinetic data for a transketolase catalysed carbon-carbon bond formation to build a comprehensive reaction model. Based on the synthesis of erythrulose from β-hydroxypyruvate and glycolaldehyde, the model includes component degradation as a function of time and concentration as well as glycolaldehyde toxicity towards the enzyme. Using the ratio of initial substrate concentration as a process variable, simulations and analysis based on this model allowed process options to be evaluated. The model links bioconversion to upstream fermentation for enzyme production and downstream product purification and this could provide guidelines for process development.     

Preparation,characterization, and prominent thermal stability of phase‐change microcapsules with phenolic resin shell and n‐hexadecane core

Microcapsules with phenolic resin (PFR) shell and n‐hexadecane (HD) core were prepared by controlled precipitation of the polymer from droplets of oil‐in‐water emulsion, followed by a heat‐curing process. The droplets of the oil phase are composed of a polymer (PFR), a good solvent (ethyl acetate), and a poor solvent (HD) for the polymer. Removal of the good solvent from the droplets leads to the formation of microcapsules with the poor solvent encapsulated by the polymer. The microstructure, morphology, and phase‐change property as well as thermal stability of the microcapsules were systematically characterized by scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimety (DSC), and thermogravimetric analysis (TGA). The phase‐change microcapsules exhibit smooth and perfect structure, and the shell thickness is a constant fraction of the capsule radius. The initial weight loss temperature of the microcapsules was determined to be 330°C in N₂ and 255°C in air, respectively, while that of the bulk HD is only about 120°C both in air and N₂ atmospheres. The weight loss mechanism of the microcapsules in different atmosphere is not the same, changing from the pyrolysis temperature of the core material in N₂ to the evaporation of core material caused by the fracture of shell material in air. The melting point of HD in microcapsules is slightly lower than that of bulk HD, and a supercooling was observed upon crystallization. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

射流流化床内流体力学行为的模拟研究

以流化床应用为代表的气固流动系统是许多化工过程中的重要组成部分 ,CFD( computational fluid dynamics)方法能够为其优化设计和放大提供所需要的信息 .本文采用双欧拉模型 ,与 Gidaspow等的实验结果进行了对比 ,模拟了二维射流流化床内气泡的形成规律 ,得到了带锥型分布器的流化床内瞬时空隙率和气固相速度分布等流体力学参数 .对锥型分布器流化床的实验结果表明 ,模拟得到的气泡的形状与实验现象相接近 .     

近红外吸收功能染料的合成

以缩合剂1，5-二苯胺-戊-1，3-二烯盐酸化物与1，3，3，5-四甲基-2-亚甲基吲哚啉为主要原料合成了1，3，3．5，1’，3’，3’，5'-八甲基吲哚三碳菁近红外吸收染料，收率达61．5％，采用熔点测定、元素分析、IR验证了产品的结构。通过电子吸收光谱测得其最大吸收波长为760nm。     

用三元共聚改性剂制PVC耐热管材

利用自行研制的三元共聚耐热改性剂与聚氯乙烯（PVC）共混制成耐热管材专用料，考察了共混体系中耐热改性剂、抗冲改性剂、填料及热稳定剂等各组分对材料拉伸强度、冲击强度和维卡软化点等综合性能的影响，同时对氯化聚氯乙烯和自制耐药改性剂的耐药和加工性能进行了比较，所研制的耐热改性剂与PVC混合后耐热效果较好，且易挤出加工。研制的耐热管材的维卡软化点可达100℃，比无规聚丙烯管材的维卡耐热性能要高。     

单晶金刚石膜与多晶金刚石膜的制备工艺及性能

本文主要介绍了用微波等离子体化学气相沉积法(以下简称MP CVD法)以甲醇-氢气混合气和丙酮-氢气混合气为源气体,分别以单晶硅的(111)面和人造金刚石的(100)面为衬底材料,制备出了面积为20mm×20mm厚为10μm的多晶金刚石膜和面积为1.0mm×1.0mm厚为5μm的单晶金刚石膜。通过试验发现,源气体配比和衬底温度对薄膜质量起决定性作用。另外,衬底在反应腔中的位置对薄膜的生成也有很大影响。单晶金刚石膜制备过程中衬底金刚石的晶体取向与金刚石薄膜的生长及质量有密切的关系。在金刚石的(100),(110)和(111)面上分别获得了单晶金刚石膜和金刚石多晶粒子。选用扫描电镜、显微激光拉曼、反射电子衍射对多晶金刚石膜及单晶金刚石膜的性能进行了测试。     

Analysis of four Monte Carlo methods for the solution of population balances in dispersed systems

Monte Carlo (MC) constitutes an important class of methods for the numerical solution of the general dynamic equation (GDE) in particulate systems. We compare four such methods in a series of seven test cases that cover typical particulate mechanisms. The four MC methods studied are: time-driven direct simulation Monte Carlo (DSMC), stepwise constant-volume Monte Carlo, constant number Monte Carlo, and multi-Monte Carlo (MMC) method. These MC's are introduced briefly and applied numerically to simulate pure coagulation, breakage, condensation/evaporation (surface growth/dissolution), nucleation, and settling (deposition). We find that when run with comparable number of particles, all methods compute the size distribution within comparable levels of error. Because each method uses different approaches for advancing time, a wider margin of error is observed in the time evolution of the number and mass concentration, with event-driven methods generally providing better accuracy than time-driven methods. The computational cost depends on algorithmic details but generally, event-driven methods perform faster than time-driven methods. Overall, very good accuracy can be achieved using reasonably small numbers of simulation particles, O(10³), requiring computational times of the order 10²−10³ s on a typical desktop computer.