PA6/POE共混物的分子动力学与介观动力学模拟

为了预测聚己内酰胺(PA6)与聚烯烃热塑性弹性体(POE)的相容性及其共混物的玻璃化转变温度(Tg)、力学性能和结合能,采用分子动力学(MD)和介观动力学(MesoDyn)模拟方法对PA6/POE共混物进行了研究。结果表明:通过温度-比容曲线可以得到PA6/POE共混体系的Tg分别对应于PA6与POE的Tg,PA6/POE为不相容体系;Meso-Dyn模拟了共混物的介观形貌与动力学演变过程,通过比较混合物的有序度参数的大小判断混合物为不相容体系。本模拟方法可以作为预测聚合物共混物性能的有利工具,也可以为高聚物配方设计提供理论指导。     

POE/PA共混物性能的分子动力学与介观动力学模拟

为了预测聚烯烃弹性体(POE)与不同聚酰胺(PA6、PA11和PA1010)的相容性及共混物的力学性能和介观形貌,采用分子动力学(MD)和介观动力学(MesoDyn)模拟方法对不同种类的POE/PA共混物进行了研究。结果表明,3种共混体系中PA11/POE共混物的拉伸模量、体积模量及剪切模量都较小,韧性比较好,力学性能和结合能最好;MesoDyn模拟结果表明,PA11与POE相容性最好。本模拟方法可以作为预测聚合物共混物性能的有利工具,也可以为高聚物配方设计提供理论参考。     

尼龙6/季铵盐/蒙脱土复合材料介观-宏观模拟

采用耗散粒子动力学(DPD)和有限元分析方法(FEM)对十六烷基三甲基氯化铵(CTAC)、十六烷基三甲基溴化铵(CTAB)和十八烷基三甲基氯化铵(OTAC)改性蒙脱土(MMT)的尼龙6(PA6)/季铵盐(Quat)/MMT纳米复合材料进行了研究。通过将分子动力学(MD)模拟得到的非键相互作用能转化为介观DPD模拟中的各珠子间的相互作用参数,用DPD模拟方法研究了共混物的介观形貌。通过将DPD模拟得到的介观形貌转化为宏观模拟中有限元分析(FEM)的输入结构,采用FEM方法预测了共混物的力学性能。FEM分析结果表明,共混物为各向异性材料,在zz方向的拉伸模量(E)与文献值基本一致,且比垂直于zz方向(xx和yy方向)的低得多。     

含能增塑剂Bu-NENA与黏结剂共混体系的介观动力学模拟

采用介观动力学（MesoDyn）模拟方法对比研究了含能增塑剂丁基硝氧乙基硝胺(Bu-NENA)与端羟基聚醚（HTPE）、聚叠氮缩水甘油醚（GAP）共混体系的相结构及其相演变过程和影响因素,用共混实验对Bu-NENA与HTPE、GAP的相容性进行了观察。模拟结果表明:Bu-NENA与HTPE、GAP均具有较好的混溶性,且Bu-NENA与HTPE的混溶性优于Bu-NENA与GAP,与混溶性实验的结果一致。25 ℃条件下,HTPE/Bu-NENA混合体系中Bu-NENA质量分数在50%以下时,HTPE和Bu-NENA混溶性较好;GAP/Bu-NENA混合体系中Bu-NENA质量分数在50%时,GAP和Bu-NENA的混溶性较其他比例时差。但在GAP/Bu-NENA 混合体系中,GAP和Bu-NENA的有序度参数P均较小,接近于0, GAP/Bu-NENA 混合体系混溶性良好;Bu-NENA 的质量分数对GAP/Bu-NENA 混合体系混溶性影响不大。     

HTPB/增塑剂共混物的介观动力学模拟

高分子粘接剂与小分子增塑剂癸二酸二辛酯(DOS)的相分离会严重影响端羟基聚丁二烯(HTPB)固体推进剂的使用性能.文中应用分子动力学(MD)和介现动力学(MesoDyn)模拟方法研究了不同增塑剂含量和温度对HTPB/DOS共混物的相容性和介现形貌的影响.结果表明,在室温时当增塑剂DOS的含量为6%时,HIPB和DOS的...     

PA6/PP共混物的研究进展

对PA6 /PP共混物的研究进展进行了综述。重点介绍了所用增容剂的种类及增容机理、共混体系结构和性能的研究状况 ,并对PA6 /PP共混物今后的研究方向提出了建议。     

尼龙6/马来酸酐-苯乙烯多单体接枝聚丙烯反应共混物

用双螺杆挤出机制备了聚丙烯(PP)与尼龙6(PA6)的共混物．先用多组分熔融接枝的方法将马来酸杆（MAH）和苯乙烯（St）共同接枝于聚丙烯（PP）上，制得多单体接枝聚丙烯PP-g-(MAH-St），该接枝物具有较高的MAH接枝率。利用MFR、SEM、TEM和力学性能测试等分析方法，研究了多组分熔融接枝聚丙烯PP-g-(MAH-St)对PA6/PP共混物的形态结构和力学性能等的影响。结果表明，PP-g-(MAH-St)中的酸酐基团与PA6末端的氨基发生化学反应，原位形成的PP-PA6共聚物能有效地改善PA6与PP的相容性，可以使PP均匀地分散在PA6基体中，相区尺寸明显减小，可至0.1μm，并使共混物的力学性能得到均衡的提高，冲击韧性的提高尤其显著，达到了橡胶改性所难以达到的效果。     

纤维素/聚醚砜共混物激光烧结弹性性能的分子动力学模拟

为提高选择性激光烧结(SLS)木塑复合粉末的成形件的力学强度,设计出可用于该项技术木塑复合粉末的新配方,制备了纤维素/聚醚砜(PES)和纤维素/聚丙烯(PP) 2种木塑复合粉末。利用分子力学和分子动力学模拟方法对纤维素/PES和纤维素/PP共混物进行共混计算,求得了纤维素分别与PES、PP的结合能分布曲线。通过建立不同质量比的纤维素/PES共混物分子模型,计算其Flory-Huggins相互作用参数和静态弹性性能,得到了纤维素含量对共混物弹性性能的影响;为验证模拟结果进行了纤维素/PES和纤维素/PP共混物的激光烧结实验。结果表明:相比较纤维素/PP复合粉末,纤维素与PES相容性更好,适用于选择性激光烧结技术;当纤维素加入质量分数为20%~25%时,材料的相容性达到最佳状态;所构建的纤维素/PES共混物模型可用于预测成形材料的弹性性能。      

三元乙丙橡胶接枝马来酸酐共聚物对PA6/PP共混物结构和性能的影响

通过Molau实验、扫描电子显微镜(SEM)观察和力学、热学性能测试,研究了三元乙丙橡胶接枝马来酸酐共聚物(EPDM-g-MAH)增容剂在PA6/PP共混物中的作用.重点讨论了PA6/PP配比、EPDM-g-MAH用量对共混物结构、冲击强度、热变形温度和吸水率的影响.实验结果表明:EPDM-g-MAH是一种反应型增容剂.适量的EPDM-～MAH加入可很好地改善PA6和PP两相的相容性,减小PP分散相的粒径,提高PA6、PP两相界面的相互作用.当PA6/PP/EPDM-g-MAH质量比为80/20/(10～15)时,共混物综合性能最好.和纯PA6相比,共混物冲击强度提高3倍以上,热变形温度提高7℃以上,吸水率减少2/3.     

PP-g-MAH对PA6/PP/TLCP三元共混物的增容改性作用

研究了PP-g-MAH对PA6／PP／TLCP三元共混体系的增容作用以及对共混物流变性能和力学性能的影响。通过共混物的DSC、SEM、POM、流变性能和力学性能测试，结果表明，PP－g-MAH对共混体系有明显的增容作用，共混物的力学性能（拉伸强度和冲击强度）得到提高；由于TLCP的加入，共混物的熔体粘度大大低于PA6的熔体粘度。     

Role of micro/nano fillers on mechanical and tribological properties of polyamide66/polypropylene composites

The objectives of this research article is to evaluate the mechanical and tribological properties of polyamide66/polypropylene (PA66/PP) blend, graphite (Gr) filled PA66/PP, nanoclay (NC) filled PA66/PP and NC plus short carbon fiber (NC + SCF) filled PA66/PP composites. All composites were fabricated using a twin screw extruder followed by injection molding. The mechanical properties such as tensile, flexure, and impact strengths were investigated in accordance with ASTM standards. The friction and sliding wear behaviour was studied under dry sliding conditions against hard steel on a pin-on-disc apparatus. Scanning electron micrographs were used to analyze the fracture morphologies. From the experimental investigation, it was found that the presence of NC and SCF fillers improved the hardness of PA66/PP blend. Further, the study reveals that the tensile and flexural strength of NC + SCF filled PA66/PP was higher than that of PA66/PP blend. Inclusion of micro and nanofillers reduced the wear rate of PA66/PP blend. The wear loss of the composites increased with increasing sliding velocity. The lowest wear rate was observed for the blend with nanoclay and SCF fillers. The wear rates of the blends with micro/nanofillers vary from 30–81% and lower than that of PA66/PP blend. The wear resistance of the PA66/PP composites was found to be related to the stability of the transfer film on the counterface. The results have been supplemented with scanning electron micrographs to help understand the possible wear mechanisms.     

杜仲胶/天然橡胶共混物的分子动力学模拟和耗散粒子动力学模拟

应用分子动力学(MD)和耗散粒子动力学(DPD)模拟方法对杜仲胶(TPI)、天然橡胶(NR)的相容性进行了研究。采用MD模拟方法,在COMPASS力场下,对纯物质在不同聚合度下的溶度参数、一系列共混比的TPI/NR共混物内聚能密度、Flory-Huggins作用参数进行了模拟计算,确定了纯物质单链的聚合度,经判断各比例共混物的相容性均较好;采用DPD模拟方法对TPI/NR共混体系的相结构进行了研究,从等密度图可以进一步判断共混体系的相容性;分析比较两种纯物质的径向分布函数,揭示了其相互作用的本质;经过分析比较静态力学性能,发现共混比为1/3的TPI/NR共混物性能最佳,其结论与实验结果一致。     

PP固相接枝物增容PP/PA6共混物的界面相互作用和力学性能

研究了PP固相接枝混合三单体（gPP)增容PP／PA6共混物的界面相互作用和力学性能，结果表明，该gPP是PP／PA6共混物的有效增容剂，在PP／PA6共混物的所有组成范围内，加入少量的gPP均可达到良好的增容效果，能显著提高共混物的力学性能，固相接枝物对PP／PA6共混体系的增容效果与固相接枝物用量及制备固相接枝物时第三单体的用量相关，通过Molau实验，傅里叶红外谱换光谱测试，抽提实验等证实；gPP的加入使得PP／PA6共混物在共混过程中就地形成了两相之间的增容剂PP－gPA6，增强了两相界面间的相互作用，gPP用量越大，PP－g-PA6的生成量越大，两相间的界面相互作用越强     

The falling weight impact properties of maleic anhydride compatibilized polypropylene–polyamide blends

A series of polypropylene–polyamide 6 (PP–PA) blends of composition 80: 20, 50:50 and 20:80 have been prepared in a twin screw extruder followed by injection moulding. Maleic anhydride grafted polypropylene was used as a compatibilizer for these blends. Static mechanical and falling weight impact tests were performed on these blends. The fracture surfaces of impact specimens were subsequently examined by scanning electron microscopy (SEM). The mechanical properties of the blends were found to be strongly dependent on the PP–PA blend ratios. The Young’s modulus, tensile strength and impact energy were observed to increase with increasing PA content. The impact strength was better in blends when the PA content approached 80 wt %. SEM observations revealed that the addition of compatibilizer resulted in good adhesion between the PP dispersed domains and PA matrix in the PP–PA 20:80 blend. Furthermore, the SEM fractographs also indicated that the cold drawn of PA matrix and debonding of PP domains were responsible for the high impact strength of this blend. This revised version was published online in November 2006 with corrections to the Cover Date.     

Fracture toughness and failure mechanisms in unreinforced and long-glass-fibre-reinforced PA66/PP blends

In this paper unreinforced and long-glass-fibre-reinforced PA66/PP blends with different glass-fibre sizing were studied with respect to their fracture toughness determined by the typical K_c method. The fracture surfaces of these blends were studied by scanning electron microscopy in order to characterize the failure mechanisms. For the unreinforced blends a decrease in fracture toughness was observed when 25 wt% of polyamide (PA) was added to the polypropylene (PP) matrix, compared with the plain PP and PA matrices. On the other hand an increase in fracture toughness was observed when 25 wt% of PP was added to the PA matrix. This was explained by the differences in thermal expansion of PP and PA. The fracture toughness of the long-glass-fibre (LGF) composites were not affected by the glass-fibre sizing up to a PA/PP ratio of 50/50. After the phase inversion from a continuous PP to a continuous PA phase in the matrix (between PA/PP ratios of 50/50 and 75/25) the PA glass-fibre sized composite showed higher fracture toughness than the PP sized. This was explained by the change of the fibre-related failure mechanism from frequent fibre pull-out to fibre fracture. In addition the matrix affected the fracture toughness of the PA/PP75/25 blend with PA glass-fibre sizing in a positive way, resulting in the highest fracture toughness observed in this study.     

The influence of interfacial interactions on the morphology and thermal properties of binary polymer blends

In order to understand the influence of interfacial modification in polyamide/ionomer/ polypropylene ternary blends, the binary blends were investigated. In this study two multiphase blends have been chosen, PP/ionomer and PA/ionomer, where the ionomer was a copolymer of polyethylene and of a mixture of methacrylic acid, zinc methacrylate and isobutylacrylate. The PP/ionomer blend is a classic example of an incompatible system which displays a high degree of interfacial voiding in SEM fracture surfaces, a strong negative deviation from additivity in the viscosity/composition relationship and an important coalescence effect on increasing dispersed phase concentration. This blend demonstrated increased nucleation and crystallization rate, compared to pure polypropylene. The second blend, PA/ionomer, demonstrates a very fine multiphase structure evident only after microtoming/etching of the sample, strong additive behaviour in the viscosity/composition curve. Formation of an amide bond was identified by Fourier transform-infrared spectroscopy. This evidence supports the conclusion that much stronger interactions exist between the ionomer and the polyamide than between the ionomer and the polypropylene.     

聚丙烯/尼龙6共混物的X射线衍射研究EI

用广角 X射线衍射 (WAXD)方法研究了不同接枝聚丙烯对聚丙烯 /尼龙 6 (PP/PA6 )共混物结晶行为的影响。结果表明 ,与简单机械共混物相比 ,由于增容剂的加入 ,PP的结晶行为发生变化——不同晶面的生长速率不同 ,且在所研究的范围内有随增容剂含量的增加 。