Combined Molecular Dynamics Simulation and Rouse Model Analysis of Static and Dynamic Properties of

来源 :高分子科学(英文版) | 被引量 : 0次 | 上传用户:slrjlc2009
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Chain architecture effect on static and dynamic properties of unentangled polymers is explored by molecular dynamics simulation and Rouse mode analysis based on graph theory.For open chains,although they generally obey ideal scaling in chain dimensions,local structure exhibits nonideal behavior due to the incomplete excluded volume (EV) screening,the reduced mean square internal distance (MSID) can be well described by Wittmer' theory for linear chains and the resulting chain swelling is architecture dependent,i.e.,the more branches a bit stronger swelling.For rings,unlike open chains they are compact in term of global sizes.Due to EV effect and nonconcatenated constraints their local structure exhibits a quite different non-Gaussian behavior from open chains,i.e.,reduced MSID curves do not collapse to a single master curve and fail to converge to a chain-length-independent constant,which makes the direct application of Wittmer's theory to rings quite questionable.Deviation from ideality is further evidenced by limited applicability of Rouse prediction to mode amplitude and relaxation time at high modes as well as the non-constant and mode-dependent scaled Rouse mode amplitudes,while the latter is architecture-dependent and even molecular weight dependent for rings.The chain relaxation time is architecture-dependent,but the same scaling dependence on chain dimensions does hold for all studied architectures.Despite mode orthogonality at static state,the role of cross-correlation in orientation relaxation increases with time and the time-dependent coupling parameter rises faster for rings than open chains even at short time scales it is lower for rings.
其他文献
本文综述了随着社会经济的发展,能源问题日益严重,建筑能耗一直以来是全球关注的一个问题.我国建筑能耗比例从2002年的27.6%上升至33%以上,而且经济加速增长和人民生活水平提高
妈妈的产假即将结束,宝宝要换人照顾了。怎么把他放心地交到看护人手里,妈妈需要提前作好准备。宝宝三四个月时,大部分妈妈的产假也所剩无几了。不能再像休产假时那样从早到
四季度市场的潜在风险,主要还是集中在宏观调控给产业经济带来的影响。预计十七大之后,相关产业的调控政策将会陆续出台。此外,“港股直通车”何时放行、股指期货推出进度,红
本文从建筑学的角度对太阳能热水系统在内蒙古地区的可利用性进行了分析,指出太阳能是指太阳光的辐射能量,是永不枯竭的绿色能源,是分布最广,储量最大,清洁无污染的可再生能源
The stability of ultrathin polymer films plays a crucial role in their technological applications.Here,we systematically investigated the influence of interfaci
上海、北京、广州、成都、宁渡……凯德置地一路走来,始终坚持以卓越品质立足发展。蜚声国内的菊园、莱诗邸、天河新作、上元、汇豪天下等无不是世人称道的高档住宅经典名作
本文为了研究和改善北方严寒地区室内环境温度、舒适度情况,通过对呼和浩特市内蒙古工业大学建筑系新馆墙体表面辐射温度进行实地测量与数据整理对比,经过分析总结建筑内墙体
双须叶须鱼(Ptychobarbus dipogon Regan)隶属裂腹鱼亚科(Schizothoracinae)叶须鱼属(Ptychobarbus),是西藏特有经济鱼类,2016年被列入中国脊椎动物红色名录,必须加快推动该
The infection induced by implantation of biomedical materials may result from the biofilm formation after bacteria attachment.Hence,the antibiofilm surface coat
本文以呼和浩特地区高校校园中学生生活区及教学区开敞空间为研究对象,分析阐述了该地区高校校园开敞空间在使用过程中产生的问题,并总结分析了影响这些问题的主要因素.进而