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arXiv 1504.08158physics.bio-phcond-mat.soft
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强球形约束下的聚合物喷射

Polymer ejection from strong spherical confinement

J. Piili, R. P. Linna

摘要:

我们研究了一个最初强烈限制的灵活的聚合物从一个球形衣壳通过纳米级孔喷射。我们使用分子动力学的空前高的初始单体密度。我们表明,一个单独的单体喷射的时间与喷射单体的数量呈指数增长。通过测量在孔的力,我们表明这种依赖性是一个后果的聚合物的过剩自由能,由于限制增长指数与最初的衣壳内的单体的数量。这种增长与Flory-Huggins理论中大浓度下混合能的发散密切相关。我们表明,驱动喷射的衣壳内的压力占主导地位的过程,其特征在于由喷射时间与不同聚合物的长度线性增长。等待时间曲线将表明,由计算机模拟得到的聚合物的超线性依赖性是由于聚合物的尾部最终从衣壳上缩回而产生的有限尺寸效应。

英文摘要:

We examine the ejection of an initially strongly confined flexible polymer from a spherical capsid through a nanoscale pore. We use molecular dynamics for unprecedentedly high initial monomer densities. We show that the time for an individual monomer to eject grows exponentially with the number of ejected monomers. By measurements of the force at the pore we show this dependence to be a consequence of the excess free energy of the polymer due to confinement growing exponentially with the number of monomers initially inside the capsid. This growth relates closely to the divergence of mixing energy in the Flory-Huggins theory at large concentration. We show that the pressure inside the capsid driving the ejection dominates the process that is characterized by the ejection time growing linearly with the lengths of different polymers. Waiting time profiles would indicate that the superlinear dependence obtained for polymers amenable to computer simulations results from a finite-size effect due to the final retraction of polymers' tails from capsids.

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