Stochastic defect diffusion model for relaxation effects in crystalline polyethylene

It is suggested that some relaxation processes observed in crystalline polyethylene are consequences of the diffusive motion of a particular defect called a point dislocation or twist dispiration loop along the polyethylene stems in lamellar crystals. The motion of the defect, characterized by a diffusion coefficient and a mobility, is described by solutions of the Smoluchowski diffusion equation with boundary conditions that constrain the defect to move along routes that produce experimentally observable results. The fact that passage of the defect causes both a 180° rotation of the chain and moves an extra CH₂ group in the direction of the chain axis is important to the interpretation of the data according to this model. The diffusion coefficient for a defect is estimated to be around 2 × 10^?9 cm² s^?1 at 70°C. This value is shown to be reasonable both from the viewpoint of detailed computer modelling of defect motion and contemporary ideas about scaling.     

Application of pulse methods to the determination of the electrochemical characteristics of lithium intercalates

The transfer processes proceeding in insertion electrodes with surface control on the application of a potential or current step are considered theoretically. The theoretical relationships have been verified by the determination of the kinetic and diffusion parameters of electrochemical lithium intercalation into thin carbon films. The overall electrode polarization is divided, both theoretically and experimentally, into the kinetic component, related to hindered ion transfer in the passive surface layer, and the diffusion one, related to decelerated lithium diffusion in the carbon matrix. The polarization dependence of kinetic current is shown to obey the same regularities that the current-potential function of the lithium electrode. The concentration dependences of the surface layer parameters and the diffusion coefficient of lithium in carbon have been determined.     

Water sorption of poly(vinyl alcohol)/ poly(diallyldimethylammonium chloride) interpenetrating polymer network hydrogels

Temperature‐responsive interpenetrating polymer network (IPN) hydrogels constructed with poly(vinyl alcohol) and poly(diallyldimethylammonium chloride) using the sequential IPN method were studied. The characteristics of IPN hydrogels were investigated using the dynamic vapor sorption system. IPN hydrogels exhibited a relatively high sorption ratio, 180–360% at room temperature. The sorption ratio of hydrogels depended on temperature. Diffusion coefficients were calculated according to the Fickian Law at several temperatures. The apparent activation energy was 5.43 kJ mol^?1, which corresponds to typical diffusion processes. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 90: 1389–1392, 2003     

User experience and personal innovativeness: An empirical study on the Enterprise Resource Planning systems

Although user experience and personal innovativeness are two important factors in new technology adoption, there has been no prior study to test these factors with the Enterprise Resource Planning (ERP) adoption. This paper investigates moderating roles of user experience on the relationship between the personal innovativeness and the ERP adoption motivations. This issue is important because if the user has more experience with the systems then the power of influence of personal innovativeness on ERP adoption motivation would be different. Thus, this paper tests these important insights of ERP systems adoption with the two different field samples with high (more than three years) and low (less than three years) user experience, based on the innovation diffusion theory, self determination theory, and different types of motivations such as intrinsic and extrinsic motivations. The findings, based on the PLS analysis of the model using 107 ERP end users, show that there are clear moderating effects of user experience—such as impacts of personal innovativeness on ERP systems adoption motivations are higher in case of low user experience samples, as expected. Academic and practical implications are discussed in the paper based on these empirical findings.     

A study on the moisture sorption characteristics in woven sisal fabric reinforced natural rubber biocomposites

Textile biocomposites were prepared by reinforcing natural rubber with woven sisal fabric. Sisal fabric was subjected to various chemical modifications like mercerization, silanization, and thermal treatment. The moisture uptake of the textile composites was found to depend upon fiber content as well as architecture. The mechanism of diffusion in the composites was found to be fickian in nature. The effect of chemical modification of sisal fabric on moisture uptake was also analyzed. Mercerization was seen to increase the water uptake in the composites while thermally treated fabric reinforced composites exhibited lower water uptake. The influence of temperature on water sorption of the biocomposites is also analyzed. The thermodynamic parameters of the sorption process were also evaluated. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 416–423, 2006     

Temperature-dependent diffusion coefficient of soluble substances during ethanol extraction of clove

The temperature dependence of the diffusion coefficient of ethanol-soluble substances from ground cloves (particle size 250 μm) during extraction was estimated by fitting batch extraction data at several temperatures (27.8, 40, 50, and 60°C) to a previously developed mass transfer model. The model was based on spherical geometry of particles. Nonlinear regression analysis was used to develop an equation that describes the diffusivity as a function of temperature. The temperature dependence ofD _A was of the Arrhenius type.     

Fat-simulating and accelerating solvents for polyolefins and MWD of solvent extracts of polyethylenes

Migration kinetics of straight-chain oligomers and antioxidants from several polyolefins at different temperatures into various solvents have been studied by radioactive tracer techniques. Anhydrous ethanol appears to be a well suited food-oil or liquid-fat simulant for extracting different types of migrants from polyolefins. Pure and mixed triglycerides are also good oil or fat simulants, but the triglycerides offer no simpler analytical procedures than the use of oil or fat themselves. n-Octanol may also be considered as a reasonable oil or fat simulant; however, its action depends somewhat on the choice of migrants. The accelerating action of n-heptane over that of oil or simulants is quantitatively demonstrated. The accelerating effects are greater for migration systems with lower diffusion coefficients. The diffusion coefficients for migration into n-heptane are about 20 times greater than the diffusion coefficients into ethanol or oil for otherwise identical migration systems yielding diffusion coefficients of about 10^?7 cm²s^?1 into oil or ethanol. For systems yielding diffusion coefficients into oil or ethanol of about 10^?12 cm²s^?1, the corresponding diffusion coefficients into n-heptane are about 1000 times greater. The molecular weight distributions (MWDs) of the n-heptane and ethanol extracts of polyolefins have been analysed. n-Heptane can not only accelerate the migration of the individual migrant but also remove oligomer species that are slightly soluble or present at low levels in the oil or simulant extracts.     

Modeling solute diffusion in aqueous polymer solutions

There are numerous models describing solute diffusion in polymer solutions. An analysis of these models demonstrates that none can provide a consistent explanation of the phenomenon observed for solutes that can be modeled as essentially solid spheres. For this reason, a new model based on a physical obstruction approach is presented. In this model, solute movement in the presence of polymer chains is assumed to be governed by the probability of the solute molecule encountering a series of openings between the chains larger than its hydrodynamic radius. The model is tested against data taken from the literature for a series of polymer solutions and solute probes and found to provide good agreement to the effects of solute size, polymer concentration, and polymer flexibility.     

分子动力学模拟聚乙烯在碳纳米管表面的扩散

通过采用分子动力学方法模拟不同链长的聚乙烯分子在单壁碳纳米管表面的扩散,探究了聚乙烯的动力学性质。研究表明随着链长的增加聚乙烯在碳纳米管表面的扩散系数减小,且二者间存在明显的标度关系。聚乙烯在碳纳米管表面扩散的扩散系数和聚乙烯吸附在碳纳米管表面的构象有关,有序结构的聚乙烯比无序结构的聚乙烯在碳纳米管表面扩散的快。此外,由于受到碳纳米管吸附作用的影响,聚乙烯分子在平行于管轴和垂直于管轴2个方向上的扩散系数不同,扩散表现各向异性。     

基于扩散距离和MDS的非刚性模型相似性分析

在非刚性模型相似性分析方法中, 基于测地距离的等距嵌入方法对模型拓扑变化非常敏感, 对于有局部拓扑变化的完全相似的模型也无法得到正确结果。为了弥补这一不足, 提高非刚性模型相似性分析的准确性, 将扩散距离与多维尺度分析(MDS)相结合, 计算非刚性模型的等距嵌入模型, 再利用迭代最近点(ICP)算法通过计算嵌入模型的相似性来实现原始非刚性模型的相似性分析。实例证明该方法对含有拓扑变化的非刚性模型可以得到理想的相似性分析结果。