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Partitioning of semiflexible macromolecules into a slit in good solvents

机译:在良好溶剂中将半柔性大分子划分为狭缝

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We investigate by Monte Carlo simulations the partitioning of semiflexible chains into slits the sizes of which are in the range of coil dimensions. The investigated chains have variable rigidities within the coil regime nor reaching the rigid rod limit. Noticeable deviations of the commonly used approximate persistence length from its exact counterpart are reported. The partitioning of semiflexible chains in the reduced plot of partitioning coefficient versus confinement is located between the results for the partitioning of a sphere and for a rigid rod. At large confinement, and for the most rigid chains investigated, the scaling law for partitioning approaches that of the rigid rods. We advocate presenting results based both on the reduced and absolute plots for drawing the correct conclusions. On increasing concentration, it is apparent that the differences in partitioning resulting from variable chain rigidity appear only in the dilute solution. At higher concentrations the differences vanish. The weak-to-strong penetration transition on an increase of concentration is explained using the scaling approach by the change of the mobility unit from the coil dimension to a concentration correlation length, similarly to that of flexible chains. The microscopic picture of partitioning represented by various concentration profiles in the slit leads to the conclusion that stiffer chains are able to fill the depletion layer at the wails more readily. [References: 34]
机译:我们通过蒙特卡洛模拟研究将半柔性链划分成缝隙,缝隙的尺寸在线圈尺寸范围内。所研究的链条在线圈范围内具有可变的刚度,也未达到刚性杆的极限。报告了常用近似持久性长度与其确切对应物的明显偏差。在分配系数与约束的缩小关系图中,半柔性链的分配位于球体分配结果和刚性杆结果之间。在较大的限制下,对于所研究的最刚性的链条,划分的缩放定律接近于刚性杆的定律。我们主张基于简化图和绝对图展示结果,以得出正确的结论。随着浓度的增加,显然由可变的链刚性导致的分配差异仅在稀溶液中出现。在较高浓度下,差异消失。类似于挠性链,使用定标方法通过将迁移率单位从卷材尺寸更改为浓度相关长度,来说明随着浓度增加而发生的弱到强渗透转变。狭缝中各种浓度分布所代表的分隔的微观图像得出这样的结论,即较硬的链能够更容易地填充壁上的耗尽层。 [参考:34]

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