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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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流场驱动高分子链迁移穿过微通道的耗散粒子动力学模拟
DOI: 10.3724/SP.J.1105.2012.11117, PP. 160-167
Keywords: 高分子链迁移,流场驱动力,跨膜输运,耗散粒子动力学
Abstract:
利用耗散粒子动力学模拟方法研究了高分子链在流场驱动作用下迁移穿过微通道过程中的链构象变化和动力学行为.在足够大的流场力驱动作用下,高分子链在沿着流场方向逐渐被拉伸,从而能够穿过管径小于其自身尺寸的微通道.耗散粒子动力学模拟结果表明高分子链的迁移过程主要分为3个步骤(1)在流场驱动作用下,高分子链漂移并逐渐靠近微通道入口;(2)高分子链逐渐调整自身构象,并使其部分进入微通道;(3)高分子链成功穿过微通道.同时,模拟还发现当高分子链尺寸大于微通道细管道管径时,高分子链穿过微通道所需的平均迁移时间随着流量的增加而逐渐减小.此外,为了研究高分子链刚性对高分子链穿过微通道的影响,模型中还引入了蠕虫状高分子链模型.模拟结果发现,高分子链的链刚性越强,其迁移穿过微通道的时间越长.
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