
浏览全部资源
扫码关注微信
1. 北京化工大学 碳纤维及功能高分子教育部重点实验室北京,100029
2. 中国科学院化学研究所 高分子物理与化学国家重点实验室北京,100190
纸质出版日期:2011-5-20,
扫 描 看 全 文
白志强, 夏宇正, 石淑先, 郭洪霞. PE/PEO/PE-PEO对称三元共混体系相行为的耗散粒子动力学模拟研究[J]. 高分子学报, 2011,(5):530-536.
BAI Zhiqiang, XIA Yuzheng, SHI Shuxian, GUO Hongxia. DISSIPATIVE PARTICLE DYNAMICS SIMULATION STUDY ON THE PHASE BEHAVIOR OF PE/PEO/PEPEO SYMMETRIC TERNARY BLENDS[J]. Acta Polymerica Sinica, 2011,(5):530-536.
白志强, 夏宇正, 石淑先, 郭洪霞. PE/PEO/PE-PEO对称三元共混体系相行为的耗散粒子动力学模拟研究[J]. 高分子学报, 2011,(5):530-536. DOI: 10.3724/SP.J.1105.2011.10128.
BAI Zhiqiang, XIA Yuzheng, SHI Shuxian, GUO Hongxia. DISSIPATIVE PARTICLE DYNAMICS SIMULATION STUDY ON THE PHASE BEHAVIOR OF PE/PEO/PEPEO SYMMETRIC TERNARY BLENDS[J]. Acta Polymerica Sinica, 2011,(5):530-536. DOI: 10.3724/SP.J.1105.2011.10128.
建立了对应实验体系聚乙烯/聚氧化乙烯/聚乙烯-聚氧化乙烯嵌段共聚物(PE/PEO/PE-PEO)的对称三元共混模型,并采用耗散粒子动力学(DPD)模拟方法对其相行为进行了理论研究.研究结果表明,随着均聚物体积分数的增加,体系的平衡相态发生由层状相(LAM)到双连续微乳液(BME)再到相分离(PS)的转变,相态演化规律和相区位置与实验结论基本一致,并且BME相在理论预测的Lifshitz点附近.对各种相态及相转变过程采用有序参数、结构因子以及密度分布等手段进行表征,结果表明,在LAM相区,均聚物的溶胀作用使得层间距随均聚物体积分数的增加而增大;在PS相区,随着嵌段共聚物体积分数的增加,体系的界面张力不断降低直至零;在BME区,BME结构中界面处的嵌段共聚物分子处于无序状态,对应着BME相结构的弯曲界面.并且,结构因子的计算结果表明BME结构与Teubner-Strey微乳散射模型定性一致.此外,界面张力的计算结果还表明形成稳定BME结构时体系的界面张力值极低.
A coarsegrained model for symmetric ternary blends was constructed based on an experimental system of polyethylene/polyethylene oxide/polyethylenepoly(ethylene oxide)(PE/PEO/PEPEO) used in Batess work
and dissipative particle dynamics (DPD) method was employed to study the phase behavior of such ternary blends.Density distribution
order parameter and structure factor were used to characterize the phase and phase transition.The results show that the phase changes from lamellar (LAM) to bicontinuous microemulsion (BME) and then to macroscopic phase separation (PS) as the volume fraction of homopolymers H is increased.The phase sequences and their locations are in accordance with the experimental results.Especially
the BME region is located near the theoretical Lifshitz point.The LAM spacing increases with increasing H in LAM region and the interfacial tension decreases with increasing volume fraction of diblock copolymer (1-H) in PS region.Diblock copolymer molecules are disordered at interfaces due to the nature of curved interfaces in BME phase.The calculated structure factor on the BME structure is qualitatively in agreement with the TeubnerStrey static scattering model of microemulsion.In addition
the interfacial tension should reduce to a very low value in order to form stable BME structure.
粗粒化耗散粒子动力学对称三元共混相行为双连续微乳液
0
浏览量
25
下载量
5
CSCD
关联资源
相关文章
相关作者
相关机构
京公网安备11010802024621