Materials modelling: A bridge from atoms to bulk properties

The use of molecular-level materials modelling techniques in the development of advanced performance polymers is discussed, with particular emphasis upon bridging the large difference in the scales of dimensions between atomic structure and fabricated parts. The advantages and disadvantages of bulk quantitative structure-property relations and atomistic modelling are assessed, and the method of group interaction modelling is suggested as a means of bridging the dimensional scales.After a brief introduction to the concept of group interaction modelling, examples of modelling the engineering properties of polymers are presented which are difficult to model quantitatively by any other means. The important phase transitions from the crystal and glassy states of matter to those of rubber- and liquidlike states are shown quantitatively to be due to the same isoenergetic condition. The viscoelastic properties of a polymer are critical for many applications and expressions are derived for the loss and storage components of the complex modulus, with reference to failure initiation conditions. The effect of crosslinking in thermosets upon the glass transition temperature and viscoelastic properties is outlined. Finally, the scaling of time from atomic vibrations to the years involved in creep and ageing effects are discussed.     

Dynamical considerations of network properties

Elasticity is discussed as an aspect of viscoelasticity, which is described by the tube model. The effects of both crosslinks and entanglements contribute to this model and a discussion of how these effects can be quantified is given. At high enough concentration, entanglements ensure the existence of elastic effects even without crosslinks, and a theory is presented on how this dynamical phase change comes about.     

Linear viscoelastic properties of mixtures of 3- and 4-arm polybutadiene stars

The viscoelastic properties of a three-arm and a four-arm star polybutadiene with the same arm molecular weight (M_a) were studied. The zero-shear recoverable compliance (J⁰_e) and plateau modulus (G⁰_N) for these stars are the same. The zero-shear viscosity (η₀) of the three-arm star is 20% lower than that of the four-arm star. Mixtures of the stars had J⁰_e and G⁰_N unchanged. A $\text{50}\text{50}$ mixture of the three- and four-arm star was diluted with a low molecular weight linear polybutadiene. G⁰_N∝ø²; J⁰_e∝ø^?1 and M_e∝ø^?1, as expected for dilution with a θ-solvent.     

表面活性剂聚集体的流变性质

以流变学基础知识为出发点，系统综述了胶束、微乳液，溶致液晶（层状、六角状、立方状），囊泡、虫状胶束等表面活性剂聚集体的流变性质及其剪切诱导结构转变现象的研究现状，总结了自流变性质的特点和理论模型，对具有黏弹性的表面活性剂活性剂聚集体进行了较为详细的论述，胶束稀溶液和微乳液多为牛顿流体；溶致液晶为非牛顿流体，有应力服价值和较高的黏弹性，囊泡的弹性性质比较突出，；虫状胶束体系具有非线性黏弹性，易形成网络结构；层状液晶、囊泡和虫状胶束等结构在剪切作用下能发生变化。这些结论对指导表面活性剂的研究和应用有重要意义。     

Shear Strength of Pressure Sensitive Adhesives and its Correlation to Mechanical Properties

Correlations between shear resistance and the mechanical properties of pressure sensitive adhesives are studied by measuring the deformation behaviour in the static and the dynamic shear test and determining the dynamic shear modulus of the adhesive. For polymers with low or moderate viscosities, the shear strain vs. time characteristics in a static shear test and, accordingly, the static shear strength, can be evaluated from the master curves of the dynamic shear modulus or the dynamic viscosity. The dynamic shear strength also can be calculated. These exact calculations cannot be applied to highly viscous or slightly crosslinked polymers. On the basis of the model experiments, empirical correlations between shear strength and the dynamic shear modulus are established which seem to be generally valid.     

软质电容式车辆动态称重系统

介绍了一种软质电容式车辆动态称重系统.对该传感器静态特性进行了研究,分析了受力面积和时间的影响,针对橡胶材料粘弹性特性,提出了利用四元件模型对其建模.同时进行了动态实验,车辆总重量的测量误差在10%以内,其精度优于ASTME1318-02给出的Ⅰ类WIM系统精度(置信95%时总重误差±10%).实验结果表明:利用文中提出的车辆动态称重系统进行测量是可行的,它有助于随时测量,便于交通稽查.     

Enhancing thermal and dynamic-mechanical properties of epoxy reinforced by amino-functionalized microcrystalline cellulose

In this study, microcrystalline cellulose (MCC) was chemically modified with 3-(aminopropyl)triethoxysilane and added to epoxy to improve chemical, thermal and dynamic-mechanical characteristics of the composites. The composites were manufactured aided by sonication with 1.0%, 2.5%, or 5.0% wt/wt of untreated MCC or amino-functionalized MCC (MCC-Si). The epoxy/MCC-Si composites showed a decrease in the ─OH band by Fourier-transform infrared spectroscopy, and X-ray diffraction analysis indicated better dispersion. The incorporation of MCC-Si in epoxy resin decreased the heat of reaction, increased activation energy values (E_a) and pre-exponential factor (A), and did not affect thermal degradation. All conversion degree (α) versus temperature curves for the composites showed a sigmoidal shape. MCC-Si composites showed better dynamic-mechanical properties than the MCC counterparts, and the functionalization effect was evidenced in storage modulus (E') and loss modulus (E"). At 2.5% wt/wt of MCC-Si content an increase of 119% in E' at the glassy region, 127% in E' at the rubbery region and 173% in E" was observed compared to the neat resin, whereas the T_g barely changed among samples. Good adhesion between the amino-functionalized MCC and the epoxy matrix was observed at the fracture surface, evidencing that surface modification of MCC improves their chemical interaction.     

利用改进开窗转换法确定沥青离散松弛时间谱

为了精确地获得沥青胶结料的离散松弛时间谱,提出了一种改进开窗转换法的线性黏弹性材料函数转换算法．此方法可以用于离散延迟时间谱和离散松弛时间谱的相互转换．与开窗转换法相比,改进开窗转换法对于时间常数的设置更加精确,并且不会产生负数谱线．将改进开窗转换法用于一种传统非改性沥青的弯曲梁流变仪试验数据的离散延迟时间谱的转换,成功地确定了相应的离散松弛时间谱．经有限元模型验证表明,此离散松弛时间谱能很好地还原该沥青结合料的应力松弛特性．     

超高分子聚合物驱提高高盐稠油油藏采收率机理及现场应用

针对常规聚合物(部分水解聚丙烯酰胺HPAM)无法满足高盐稠油油藏采收率要求的问题,以胜坨油田二区东三4砂组高盐稠油油藏为研究对象,实验结合数值模拟分析了超高分子聚合物驱和常规聚合物驱的提高采收率机理。研究表明,超高分子聚合物黏度、黏弹性,耐盐性以及高温下的稳定性均优于常规聚合物,采用超高分子聚合物驱油更容易实现活塞驱油;相比于常规聚合物,分子间排列更加致密且互相缠绕,分子间缔合作用力远大于常规聚合物,表现出很强的抗盐、抗拖拽能力,具有很强的调剖能力;CMG数值模拟结果表明,采用超高分子聚合物驱提高东三4砂组油藏采收率具有见效早、降低含水率效果好的优点。对于东三4砂组油藏,采用超高分子聚合物驱(DQ-3500)相对于常规聚合物驱(8^#HPAM)采收率提高了1.74%。该研究成果对于采用超高分子聚合物驱提高高盐稠油油藏采收率的推广应用具有重要意义。     

Performance of biomimetic coating modified fiber incorporated styrene butadiene styrene modified asphalt

This study reports the effect of polydopamine bionic coating and γ-methacryloxypropyltrimethoxysilane (KH570) composite modified polyacrylonitrile (PAN) fiber as a secondary modifier on the performance of styrene-butadiene-styrene (SBS) modified asphalt. Dynamic shear rheometer test indicated the complex shear modulu, storage modulus, and loss modulus of modified PAN (KD-PAN) incorporated SBS modified asphalt was increased by 12.4, 20.5, and 11.2%, respectively compared with PAN/SBS modified asphalt. The master curve of G^* of fiber/SBS composite modified asphalt shows that the deformation resistance of KD-PAN/SBS modified asphalt is greater than that of PAN/SBS modified asphalt in the entire loading frequency range. The cone penetration test showed significantly enhanced shear strength of KD-PAN/SBS modified asphalt. The adhesion work test results and SEM images of interface between fiber and SBS modified asphalt revealed that the adhesion effect of KD-PAN and SBS modified asphalt is better than that of PAN and SBS modified asphalt. SEM and AFM images of fiber further showed that the fiber surface becomes rough after modification. The increased surface roughness of KD-PAN facilitated the adherence of SBS modified asphalt to it, which in turn led to the enhanced performance of KD-PAN/SBS composite modified asphalt at the same fiber content and temperature.