聚合物反应挤出过程数值模拟进展

随着高性能计算机的不断发展,采用数值模拟方法来研究反应挤出过程中螺杆几何结构、操作参数与材料参数相互关系,对聚合物的合成、加工与改性均具有重要的指导意义。但由于聚合物反应挤出过程非常复杂,熔体高剪切流动、传热、复杂流变特性与聚合反应之间的强耦合,使得准确数值模拟非常困难。本文综述了现阶段数值模拟所采用的数学和物理模型,可分为一维反应器模型和计算流体力学模型。反应挤出过程数值模拟的发展将以计算流体力学方法为主,严格耦合三传和聚合反应动力学,考虑多相传递过程,并通过优化求解算法,从而准确预测聚合物反应挤出过程。     

聚合物熔体挤出胀大的三维数值模拟

采用粘弹性PTT模型对聚合物熔体的矩形口模挤出胀大进行了三维等温数值模拟,得出了不同条件下的口模外流动速度和挤出胀大率沿挤出方向的分布规律.模拟时利用罚函数有限元法和把动量方程转化成椭圆类方程的去耦算法以降低模拟对计算机内存的要求和增加计算收敛的稳定性,采用用路线法对挤出胀大自由表面进行更新迭代.模拟结果表明:We数越大,则挤出胀大率越大,而且对于矩形口模挤出而言,高度方向的挤出胀大率比宽度方向的挤出胀大率大.     

数值模拟法在聚合物流变学教学中应用

聚合物流变学多学科交叉特点致使其教学和科研均落后于高分子科学其它分支的发展。针对流变学教学过程中的诸多抽象概念和理论,将计算流体力学(CFD)数值模拟的方法引入到教学中,本文采用Weissenberg效应、二次流、挤出胀大和螺杆共混几个实例说明黏弹与牛顿流体本质差异,并引导学生如何将流变学的原理和方法应用到工程设计实践中,同时借用其工程设计应用功能来讲解经典流变学基本原理和理论。CFD数值模拟方法的引入使课程结构得到优化,教学方法也更为直观生动,提高学生学习的积极性。     

同向啮合双螺杆挤出机挤出过程的计算机模拟

计算机模拟研究了聚苯乙烯在TSE-35A型同向啮合双螺杆挤出机的挤出过程.计算得到不同喂料速率与不同转速下的停留时间分布,并与在线荧光法测量值对比,二者基本相符.确定了停留时间与螺杆转速及喂料速率之间的函数关系式.模拟结果还预测了喂料速率、螺杆转速等工艺参数对双螺杆内流场变量,如温度、填充率、压力及粘度等的影响.模拟计算有助于了解双螺杆挤出机内部聚合物材料流动状态及停留时间长短,从而指导实际聚合物生产.     

聚合物口模挤出流动分析方法

综述挤出口模中聚合物熔体流动分析方法。着重讨论了包括有限差分法、有限元法和边界元法等在内的数值方法。并且对挤出口模流道几何形状简化和数学模型简化进行了评价     

半结晶聚合物注射成型中结晶动力学的数值模拟

对半结晶聚合物注射成型过程及其结晶过程进行偶合模拟,分析了二者的相互影响.具体是在注射成型数值模拟中考虑结晶动力学效应,分别在本构方程、能量方程及材料物性参数方程中引入反映结晶效应的参数;同时在结晶动力学计算中考虑流动诱导效应,从能量的角度提出并使用修正的动力学模型,用材料流动过程的耗散能表征流动对结晶的影响.通过对等规聚丙烯(iPP)和聚对苯二甲酸乙二醇酯(PET)两种半结晶聚合物注射过程模拟结果的分析比较,证实成型过程具有加速结晶的作用.同时,材料的结晶也对注射成型加工过程,尤其是保压与冷却过程的温度场分布有较大的影响.     

旋转挤出加工制备高性能聚合物管

聚合物管主要用于流体压力输送,要求环向强度高,耐应力开裂性能好,使用寿命长。我们借鉴天然管竹子因竹纤维轴向排列使其轴向破裂易,横向破裂难的结构特点,提出形成偏离轴向的增强相结构可以显著提高聚合物管的性能,自行设计研制了新型的聚合物管旋转挤出装置,通过芯棒和口模独立可调的旋转运动与轴向速度可调的挤出/牵引运动的不同组合,形成与常规挤出不同的应力场,并通过管内外壁双冷技术调控聚合物管中温度场,从而在聚合物管中形成和定构不同层次的偏离轴向排列的增强相结构(如取向分子、串晶、原位成纤诱导形成串晶、外加纤维等),大幅度提高聚合物管的环向强度和耐应力开裂性能,如旋转挤出聚乙烯管形成偏离轴向串晶结构,使其环向拉伸强度和裂纹引发时间分别比常规挤出聚乙烯管提高78%和544%。我们还从理论上分析了旋转挤出中聚合物的流变行为,得到其流动速率数学表达式,阐明旋转挤出形成偏离轴向增强相结构的机理。旋转挤出加工为制备高性能聚合物管提供新设备、新技术、新理论。本文简要总结了我们通过旋转挤出制备高性能聚合物管的一些研究工作。     

刚性聚合物稀溶液流变性质的计算 Ⅰ.定常流动

本文采用多棒刚杆分子模型,用Galerkin法计算了聚合物稀溶液在定常剪切流、平面拉伸流、单轴拉伸流、单轴拉伸与剪切流相组合的复杂流动的流变学性质。计算结果表明,多棒刚杆分子模型有希望成为描述聚合物稀溶液流变性质的较为完善的分子模型。本文的研究不仅可使人们用分子模型来代替连续介质本构方程进行粘弹性流体复杂流动的数值模拟,而且也为探讨描述聚合物浓溶液的分子模型提供了一种新的途径。     

Levelset方法数值模拟单液滴传质中的Marangoni效应

用Levelset方法捕获界面建立了数值模拟变形单液滴萃取传质过程中Marangoni效应的控制方程。将浓度场和流场相耦合计算,数值模拟了变形单液滴传质中的Marangoni效应,描述了Marangoni效应的发生和发展过程,结果同Sternling ＆ Scriven的经典理论分析和前期数值模拟相吻合。     

聚合物纳米复合体系中聚合物结构及动力学研究进展

从计算模拟及实验角度系统总结了聚合物结构、 聚合物构象、 聚合物扩散及聚合物多尺度动力学的研究进展, 阐述了各影响因素及其变化规律, 并对聚合物动力学的未来研究进行了展望.     

Numerical simulation of three‐dimensional polymer extrusion flow with differential viscoelastic model

The numerical simulation of viscoelastic flow problems is nowadays an effective way of investigating the complex flow mechanism related to practical engineering problems, such as plastic injection, blow molding and extrusion. The mathematical model of a three‐dimensional (3D) viscoelastic flow in a typical contraction die for polymer extrusion is established and a stable solving method is investigated. The penalty finite element method (FEM) is performed to simulate the viscoelastic melts flow in the channel with a differential constitutive model. The discrete elastic‐viscous split stress (DEVSS) formulation and the streamline‐upwind Petrov–Galerkin (SUPG) technology are employed to improve the computation stability. Both the implementation of the numerical scheme and its application in the practical process analysis are investigated. The effects of various calculation control parameters and different material parameters upon the numerical results are discussed. The 3D flow patterns in the extrusion die with different contraction angles are further investigated based on the above discussions. Copyright © 2007 John Wiley & Sons, Ltd.     

Hydrostatic Extrusion of Poly(L-Lactide)

Poly-L-Lactide(PLLA) has been used as a bone fracture fixation material for several years. However, its mechanical properties are still not satisfied. To improve its mechanical properties, we examined the hydrostatic extrusion procedure on the PLLA rods made by Injection Molding process. The extrusion ratio was adjusted to 3, 6, 9, and 12. The molecular weight of the PLLA decreased from 260,000 to 200,000 after injection molding process, but it did not change during the hydrostatic extrusion procedure. The melting point of PLLA hydrostatic extrusion products were increased with the extrusion ratio, but the increment was not obviouse. Extrusion products having low extrusion ratio had α-form crystal in them, extrusion products having high extrusion ratio had both of α and β-form crystall in them. At extrusion temperature of 145°C, PLLA rods showed the best flowing trends in the pressure medium of PEG 400. Extrusion temperature is placed in the range of crystalline transition temperature and melting point of PLLA. At extrusion ratio 9∼12, the extrusion products showed the best mechanical properties. The highest bending strength of the extrusion product was over than 350MPa. It is far stronger than that of the human cortical bone (200MPa). SEM observations showed that the fiber structure began to appear at an extrusion ratio ER=3, and at the extrusion ratio ER=6, the chain axes of PLLA became aligned to the extrusion direction. The structure of extrusion products at the high extrusion ratio showed highly oriented fiber structure composed of micro-fibril. At high extrusion ratio tranformation from α-crystal to β-crystal was also observed.     

Effect of processing method on the structure and properties of HDPE/EAA/LDHs nanocomposites

High-density polyethylene/ethylene–acrylic acid copolymer/layered double hydroxides (LDHs) nanocomposites were prepared by the methods of one-step extrusion and twice extrusion in this paper. The structure and properties of the nanocomposites were also studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), differential scanning calorimetry (DSC), thermogravimetry (TG), and the cone calorimeter. The results of XRD, SEM, and TEM analyses demonstrated that the method of twice extrusion gave the LDHs a higher level of exfoliation within the matrix compared with the method of one-step extrusion. The DSC and TG analysis revealed that the crystalline property and the thermal stability of the nanocomposites could be improved by the method of secondary extrusion. The cone calorimeter test showed that the method of secondary extrusion could improve the flame retardant property of the nanocomposites to some degree.     

Modeling and simulation of morphology variation during the solidification of polymer melts with amorphous and semi‐crystalline phases

The solidification of polymer melts in practical processing such as extrusion, injection molding and blow molding can significantly influence the inner structure and performance of final products. The investigation of its mechanism has both scientific and industrial interests. In the study, the three‐dimensional mathematical model is developed for the simulation of morphology variation in the solidification of polymer melts with amorphous and semi‐crystalline phases. The amorphous phase is simulated as the finite extensible nonlinear elastic dumbbell with a peterlin closure approximation (FENE‐P) fluid and the semi‐crystalline phase is approximated as rigid rods that grow and oriented in the flow field. The model of amorphous phase and semi‐crystalline phase are coupled through the stress and momentum balance and the feedback of crystallinity to the system relaxation time. The evolution of crystallization kinetics process are described by using a set of Schneider equation that discriminating the relative roles of the thermal and the flow effect on the crystallization behavior. With the standard Galerkin formulation adopted as basic computational framework, the discrete elastic viscous stress splitting algorithm in cooperating with the streamline upwinding approach serves as a relatively robust numerical scheme by using penalty finite element–finite difference simulation with a decoupled solving algorithm. The proposed mathematical model and numerical method have been successfully applied to the investigation of solidification of polymer melts in the extrusion process. The variations of orientation and crystallization morphology during the solidification process are further discussed. Copyright © 2014 John Wiley & Sons, Ltd.     

Investigations of the Rheology and Reactivity of Extrudable Wood-Resin Compounds

Summary. The extrusion of wood composites based on thermosetting resins is a new application in the field of wood plastic composites. To enable the extrusion of wood thermosetting compounds, it is necessary to know their reactivity and rheology well beforehand, to prevent the system curing inside the extruder. This study shows the different techniques that were adapted to allow in combination an estimation of the processing behaviour of wood-resin compounds in extrusion.     

General principles of polymer processing modeling

Specific rheological and thermal properties of molten polymers and their consequences on the numerical simulation of forming processes are first reviewed. The strong coupling between flow kinematics and material temperature is pointed out. According to geometrical specificities, to the type of deformation the material is submitted to and to thermal conditions, continuum mechanics and energy balance equations can be simplified and more or less sophisticated rheological equations can be used. Finally, these considerations are applied to the modeling of steady extrusion and fiber spinning and of unsteady molding processes.     

Investigations of the Rheology and Reactivity of Extrudable Wood-Resin Compounds

The extrusion of wood composites based on thermosetting resins is a new application in the field of wood plastic composites. To enable the extrusion of wood thermosetting compounds, it is necessary to know their reactivity and rheology well beforehand, to prevent the system curing inside the extruder. This study shows the different techniques that were adapted to allow in combination an estimation of the processing behaviour of wood-resin compounds in extrusion.     

Hydrostatic extrusion of linear polyethylene: Effects of extrusion temperature and polymer grade

The hydrostatic extrusion behavior of linear polyethylene has been examined for two homopolymers of very different molecular weight characteristics and for a copolymer. Good unflawed extrudates could be obtained in all cases, and the extrusion behavior at a fixed temperature correlated well with the melt flow index. Although the maximum values of axial Young's modulus obtainable from the higher molecular weight homopolymer and the copolymer were lower than those possible for the lower molecular weight homopolymer, such materials do show improvements in creep behavior which could be advantageous. The effect of temperature on the extrusion behavior is discussed; the results suggest that for each grade of polymer there is an optimum temperature for effective extrusion, i.e., extrusion which gives optimum modulus enhancement. Finally, the melting behavior and the temperature dependence of the axial Young's moduli of the extrudates are considered in terms of our present knowledge of the structure of these high modulus materials.