Temperature Effect on the Conformation Transition of Ultra-high Molecular Weight Polyethylene/Polypropylene Blends Undergoing Continuous Volume Extensional Flow:A Mesoscopic Simulation

Due to the multiformity and complexity of chain conformation under external flow and the challenge of systematically investigating the transient conformation and dynamic evolution process of polymer chains at the molecular level by means of present experimental techniques,a universal description of both chain conformation and dynamics with respect to continuous volume extensional flow(CVEF)is still absent.Taking into account the temperature effect,we performed dissipative particle dynamics(DPD)simulations with the particles corresponding to the repeat units of polymers over a wide temperature range and analyzed the correlation with the conformational properties of ultra-high molecular weight polyethylene/polypropylene(UHMWPE/PP)blend in response to the CVEF.With time evolution,the polymer chains become highly oriented parallel to the flow direction instead of the initial random coiling and self-aggregation.It is found that a high temperature is necessary for more substantial compactness to take place than low temperature.The low-k plateau and low-k peak in structure factor S(k)curves suggest a low degree of conformational diversity and a high degree of chain stretching.It is also concluded that the intra-molecular C-C bond interaction is the main driving force for the dynamics process of the chain conformations undergoing CVEF,where the motion of the alkyl chains is seriously restricted owing to the increase in bond interaction potential,resulting in a reduction of the difference in diffusion rates among alkyl chains.

External mass transfer from/to a single sphere in a nonlinear uniaxial extensional creeping flow

This work systematically simulates the external mass transfer from/to a spherical drop and solid particle suspended in a nonlinear uniaxial extensional creeping flow.The mass transfer problem is governed by three dimensionless parameters:the viscosity ratio(λ),the Peclet number(Pe),and the nonlinear intensity of the flow(E).The existing mass transfer theory,valid for very large Peclet numbers only,is expanded,by numerical simulations,to include a much larger range of Peclet numbers(1≤Pe≤105).The simulation results show that the dimensionless mass transfer rate,expressed as the Sherwood number(5 h),agrees well with the theoretical results at the convection-dominated regime(Pe>103).Only when E>5/4,the simulated Sh for a solid sphere in the nonlinear uniaxial extensional flow is larger than theoretical results because the theory neglects the effect of the vortex formed outside the particle on the rate of mass transfer.Empirical correlations are proposed to predict the influence of the dimensionless governing parameters(λ,Pe,E)on the Sherwood number(Sh).The maximum deviations of all empirical correlations are less than 15%when compared to the numerical simulated results.

The internal circulations on internal mass transfer rate of a single drop in nonlinear uniaxial extensional flow

The internal flow of a droplet in the nonlinear extensional flow field will exhibit more than two internal circulations with the variation of nonlinear intensity(E).In this paper,the effect of positions and sizes of internal circulations on internal mass transfer rate of a single spherical droplet in a nonlinear extensional flow field is studied and compared with that in a linear extensional flow field.The simulation results show that when E≥0,there are two symmetrical internal circulations in the droplet,which is the same with that in a linear extensional flow.The limit value of mass transfer rate Sh is 15,which is equal to that in a linear extensional flow,no matter how large E is.When E≤-3/7,the number of internal flow circulation of a droplet increase to four and the transfer rate Sh increases.When E=-1,the maximum internal transfer rate Sh equals 30 which is twice of that in a linear extensional flow.The generation of new flow circulations in droplets and the circulation positions will enhance mass transfer when E≤-3/7,which provides a new idea for enhancing the internal mass transfer rate of droplets.

Asymmetric breakup of a droplet in an axisymmetric extensional flow

The asymmetric breakups of a droplet in an axisymmetric cross-like microfluidic device are investigated by using a three-dimensional volume of fluid(VOF) multiphase numerical model. Two kinds of asymmetries(droplet location deviation from the symmetric geometry center and different flow rates at two symmetric outlets) generate asymmetric flow fields near the droplet, which results in the asymmetric breakup of the latter. Four typical breakup regimes(no breakup, one-side breakup, retraction breakup and direct breakup) have been observed.Two regime maps are plotted to describe the transition from one regime to another for the two types of different asymmetries, respectively. A power law model, which is based on the three critical factors(the capillary number,the asymmetry of flow fields and the initial volume ratio), is employed to predict the volume ratio of the two unequal daughter droplets generated in the direct breakup. The influences of capillary numbers and the asymmetries have been studied systematically in this paper. The larger the asymmetry is, the bigger the oneside breakup zone is. The larger the capillary number is, the more possible the breakup is in the direct breakup zone. When the radius of the initial droplet is 20 μm, the critical capillary numbers are 0.122, 0.128, 0.145,0.165, 0.192 and 0.226 for flow asymmetry factor AS= 0.05, 0.1, 0.2, 0.3, 0.4 and 0.5, respectively, in the flow system whose asymmetry is generated by location deviations. In the flow system whose asymmetry is generated by two different flow rates at two outlets, the critical capillary numbers are 0.121, 0.133, 0.145, 0.156 and 0.167 for AS= 1/21, 3/23, 1/5, 7/27 and 9/29, respectively.

A new constitutive theory for extrusion-extensional flow of anisotropic liquid crystalline polymer fluid

A new continuum theory of the constitutive equation of co-rotational derivative type was developed by the author for anisotropic viscoelastic fluid-liquid crystalline (LC) polymers (S.F. Han, 2008, 2010) . This paper is a continuation of the recent publication [1] to study extrusion-extensional flow of the fluid. A new concept of simple anisotropic fluid is introduced. On the basis of anisotropic simple fluid, stress behavior is described by velocity gradient tensor F and spin tensor W instead of the velocity gradient tensor D in the classic Leslie?Ericksen continuum theory. A special form of the constitutive equation of the co-rotational type is established for the fluid. Using the special form of the constitutive equation in components a computational analytical theory of the extrusion-extensional flow is developed for the LC polymer liquids - anisotropic viscoelastic fluid. Application of the constitutive theory to the flow is successful in predicting bifurcation of elongational viscosity and contraction of extrudate for LC polymer liquids–anisotropic viscoelastic fluid. The contraction of extrudate of LC polymer liquids may be associated with the stored elastic energy conversion into that necessary for bifurcation of elongational viscosity in extrusion extensional flow of the fluid.

Investigation on Extensional Viscosity of Polymer Melts and Their Molecular Structures

The extensional viscosity of three polyethylenes(LDPE,LLDPE and HDPE)melts was measured in-uniaxialelongational flow at a constant extension rate,as well asby the process of fiber spinning"Rheotens"and the entryflow methods.The melts showed the same melt flowingindex(MFI)but differed in their extensional viscositiesand attenuating forces,reflecting the differences in theirmolecular structures.The indirect methods could alsogive meaningful estimates for the extensional viscosity ofthe polymer melts,if the amount of the accumulated ex-tensional strain in each case was taken into consider-ation.

Predicting numerically the large increases in extra pressure drop when boger fluids flow through

Recent numerical studies on pressure-drops in contraction flows have introduced a variety of constitutive models to compare and contrast the competing influences of extensional vis-cosity, normal stress and shear-thinning. Early work on pressure-drops employed the constant viscosity Oldroyd-B and Upper Convected Max- well (UCM) models to represent the behavior of so-called Boger fluids in axisymmetric contrac-tion flows, in (unsuccessful) attempts to predict the very large enhancements that were ob-served experimentally. In more recent studies, other constitutive models have been employed to interpret observed behavior and some pro-gress has been made, although finding a (re-spectable) model to describe observed contrac-tion-flow behavior, even qualitatively, has been frustratingly difficult. With this in mind, the present study discusses the ability of a well- known FENE type model (the so-called FENE- CR model) to describe observed behavior. For various reasons, an axisymmetric (4:1:4) con-traction/expansion geometry, with rounded corners, is singled out for special attention, and a new hybrid finite element/volume algo-rithm is utilized to conduct the modeling, which reflects an incremental pressure-correction time-stepping structure. New to this algo-rithmic formulation are techniques in time discretization, discrete treatment of pressure terms, and compatible stress/velocity-gradient representation. We shall argue that the current simulations for the FENE-CR model have re-sulted in a major improvement in the sort-for agreement between theory and experiment in this important bench-mark problem.

聚丙烯熔体拉伸流变行为的研究

采用双料筒毛细管流变仪,对两种不同摩尔质量的等规聚丙烯的剪切及拉伸流变行为进行了研究,并采用Cogswell方法计算了熔体的拉伸强度。结果表明:聚丙烯为假塑性流体,随着剪切速率的增加,熔体的表观剪切黏度下降,呈现出假塑性流体典型的“剪切变稀”行为。在相同的温度和剪切速率下,平均摩尔质量较小、分布较宽的聚丙烯的表观剪切黏度及拉伸黏度均较小,但熔体的拉伸强度较大,意味着其具有较好的流动性能,并具有较高的可拉伸性,可以达到较大的拉伸比。

用物理模拟实验研究大陆伸展构造

本文以岩石圈多层构造为基础 ,按照下地壳和岩石圈地幔塑性流动控制上地壳构造变形的思想 ,采用脆延性双层模型进行伸展构造模拟实验。模拟结果表明 ,延性层流动速度比脆性层运动速度大 ,对脆性层具有牵引作用 ;受挤压和边界流动控制 ,模型构造变形出现伸展区、过渡区和挤压区 ,其中以伸展区的“地堑 地垒”式伸展构造为主。模型表面标志点位移表明 ,模型脆性层变形量主要集中在断裂发育部位 ,而断裂之间块体变形量基本可以忽略不计。此外 ,实验中还观察到在脆性层断裂部位出现延性层被动上隆现象。

聚合物熔体或溶液拉伸黏度的研究状况

简要地阐述了拉伸黏度近百年的研究历史,介绍了有关拉伸黏度的几种主要测量方法,包括收缩流动测量法、敦粗压缩流动测量法、轴向垂直拉伸测量法以及相向喷嘴拉伸流动测量法等,分析总结了这几种方法的实验原理与特点。

基于拉伸破碎原理的单螺杆拉伸混炼元件的研究

根据聚合物混炼过程中的分布混合主要取决于分流次数的多少,而分散混合则很大程度上依赖于剪切应力或拉伸应力的强度的原理,并基于拉伸形变的破碎效应,设计了一种新型单螺杆拉伸混炼元件。通过有限元软件Polyflow分析了该新型混炼元件的分散混合及分布混合性能,计算了混合过程中的压力、应力应变速率的概率函数。根据粒子轨迹研究发现,随着时间的延长,承受较大剪切速率或拉伸速率的粒子数逐渐增多,且流动过程中粒子具有较长的停留时间,无明显的回流与滞料现象,说明该新型拉伸混炼元件同时表现出良好的剪切与拉伸混合特征,但在低应变速率下拉伸混合性能要更加优越。

聚合物熔体在圆锥口型的挤出胀大方程

在聚合物熔体入口收敛流变中引入纯拉伸流变概念，应用张量理论进行定量分析，导出一个描述圆锥口型的挤出胀大方程。研究表明，入口收敛拉伸流变，是聚合物熔体产生了强烈的弹性形变，导致了较大的挤出物胀大比。

龙门山后山震旦系--古生界变形变质作用：松潘-甘孜造山带中生代伸展垮塌下的中地壳韧性流壳层

中生代早期造山作用使松潘-甘孜地区地壳厚度加厚到约50-60km，因而随即经历了大规模区域性地壳伸展和减薄作用，然而迄今为止，对伸展和减薄事件的形成和发育机制还缺少深入了解。通过对龙门山前陆逆冲带腹陆地区，特别是其中发育的变质核杂岩及伸展变质穹隆体的详细构造解析，发现震旦系——古生界中普遍发育各种形式的顺层韧性流变构造，如韧性剪切带、透入性顺层面理及矿物拉伸线理、糜棱岩化及绿片岩相-低角闪岩相变质作用，并在龙门山北、中和南段造成大规模和不同程度的地层构造缺失或减薄；韧性流变构造流变方向在龙门山北段指向南或SSE，中、南段则指向SE；对志留系茂县群变质作用温压条件进行估算，其温度变化范围为265-405℃，压力变化范围为0．31-0．48GPa，代表了中地壳韧性流壳层（middle crustal ductile channel flow）的形成条件；前人用^19Ar／^40Ar和SHRIMP锆石U-Pb等方法对这一套区域动力变质岩石变质年龄的时代限定为190-150Ma，与中生代早期造山后板内伸展减薄事件相匹配。因此表明造山作用加厚地壳在中地壳层次以大规模韧性流变变形和变质作用对地壳厚度进行了调整，相对于上地壳层次变形和变质作用而言，中地壳韧性流壳层是松潘一甘孜造山带伸展和减薄的主要原因。在区域上如果消除新生代松潘-甘孜高原加厚和相对上扬子地块逆时针旋转的影响，中生代韧性流壳层流变方向总体为sSE或向南，因此代表南秦岭造山作用后的板内演化阶段，并且是造成松潘-甘孜造山带伸展垮塌的主要原因。

剪切或拉伸流场中液滴的变形和破裂准则

论述了剪切或拉伸流场中描述液滴形变的两个典型变量即变形度和取向角;介绍了影响液滴形变的粘度比、毛细管数、雷诺数、韦伯数、Pecletnumber和Elasticitynumber等无量纲参数以及液滴形变的表面形状函数;总结了液滴的破裂准则。

PIV技术测试聚合物流体拉伸流动的实验研究

针对低相对分子质量、低黏度的牛顿流体(如聚异丁烯)和非牛顿流体(如3%苯甲酸钠溶液),采用粒子成像速度仪(PIV)系统测试了2种流体在同一流率下流经渐变收缩流道时的速度分布,并研究比较了壁面处的纯剪切流动与流道中心轴线上的拉伸流动。通过实验测试与有限元模拟比较发现,牛顿流体和非牛顿流体的速度分布形态具有一定的差异。在速度分布确定的情况下,根据渐变收缩流动的特点,可以得到聚合物流体流动时中心轴线上的拉伸速率和边界处的剪切速率。

扰动本构方程及粘弹流体拉伸流动不稳定性

提出“准衰退记忆”新概念,发展了非牛顿流体扰动本构理论,并研究了粘弹流体拉伸流动的不稳定性规律。

高分子流体材料拉伸流动研究

成纤材料的可纺性是合成新的成纤材料或是度量现有材料的成纤条件的关键性参数,拉伸率是衡量材料的可纺性的依据,本文就纤维纺丝拉伸的类型和特点进行分析研究,其结果与材料本构方程联立求解,可分析求解高分子材料拉伸流动中的流动参数.

高分子流体材料拉伸流动研究

成纤材料的可纺性是合成新的成纤材料或是度量现有材料的成纤条件的关键性参数,拉伸率是衡量材料的可纺性的依据,本文就纤维纺丝拉伸的类型和特点进行分析研究,其结果与材料本构方程联立求解,可分析求解高分子材料拉伸流动中的流动参数.

拉伸流动静态混合器混合性能的实验研究

设计了1种能够增强聚合物混合效果的拉伸流动静态混合器(EFM),以高密度聚乙烯/聚苯乙烯(PE-HD/PS)作为混合体系,根据共混体系扫描电子显微镜(SEM)照片及分散相的平均粒径,研究了不同盘形结构和不同盘棱间隙(δ)(0.125~2.0 mm)下EFM的混合性能。结果表明,EFM的盘形入口结构对其混合性能影响较小,混合能力随盘棱顶端圆角半径的增大而有所提升,随δ的增大出现先降低再升高又降低的变化趋势。

液晶高分子-各向异性流体挤出拉伸分岔研究

应用共转导数型本构方程研究了液晶高分子纺丝挤出过程的拉伸黏度,应用计算机符号运算软件 Maple得出解析表达式,拉伸黏度与拉伸率之间关系(随剪切速率变化)表明存在分岔现象,得出拉伸黏度显著高于相应的剪切黏度,解释了液晶高分子熔体挤出时不发生挤出胀大的物理机制．