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受限拴系聚合物在剪切流中的布朗动力学模拟:吸引表面的影响。

Brownian dynamics simulations of confined tethered polymers in shear flow: the effect of attractive surfaces.

作者信息

Ibáñez-García Gabriel O, Goldstein Patricia, Hanna S

机构信息

Facultad de Ciencias, Departamento de Física, Universidad Nacional Autónoma de México, 04510, México D.F, México.

出版信息

Eur Phys J E Soft Matter. 2013 May;36(5):56. doi: 10.1140/epje/i2013-13056-5. Epub 2013 May 30.

DOI:10.1140/epje/i2013-13056-5
PMID:23715882
Abstract

Coarse grain Brownian dynamics simulations of the bead-spring model are used to investigate the effect of attractive surfaces on the stretching of confined tethered polymers under shear flow. The weak and strong adsorbed regimes have been addressed by means of a coarse grain van der Waals potential to simulate polymer substrate interactions. Different stationary cyclic dynamics are observed upon varying shear flow intensity and surface potential strength. Polymer stretching decreases as increasing the attractive potential strength, breaking down the scaling predictions for non-adsorbed polymers. We found that adsorption is enhanced by the shear flow strength in agreement to simulations of adsorbed non-tethered polymers.

摘要

采用珠子-弹簧模型的粗粒化布朗动力学模拟,研究了在剪切流作用下,吸引性表面对受限拴系聚合物拉伸的影响。借助粗粒化范德华势来模拟聚合物与基底的相互作用,探讨了弱吸附和强吸附两种情况。改变剪切流强度和表面势强度时,会观察到不同的稳态循环动力学。随着吸引势强度的增加,聚合物拉伸程度减小,这与非吸附聚合物的标度预测不符。我们发现,与吸附的非拴系聚合物模拟结果一致,剪切流强度会增强吸附作用。

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本文引用的文献

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Numerical simulation of tethered DNA in shear flow.在剪切流中束缚 DNA 的数值模拟。
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Statistics of polymer adsorption under shear flow.剪切流下聚合物吸附的统计数据。
J Chem Phys. 2010 Mar 28;132(12):124903. doi: 10.1063/1.3361673.
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Tethered DNA dynamics in shear flow.剪切流中束缚DNA的动力学
J Chem Phys. 2009 Jun 21;130(23):234902. doi: 10.1063/1.3149860.
4
Brownian dynamics simulations of polyelectrolyte adsorption in shear flow: effects of solvent quality and charge patterning.剪切流中聚电解质吸附的布朗动力学模拟:溶剂质量和电荷分布的影响
J Chem Phys. 2008 Apr 28;128(16):164907. doi: 10.1063/1.2901052.
5
Transitions of tethered polymer chains: a simulation study with the bond fluctuation lattice model.束缚聚合物链的转变:基于键涨落晶格模型的模拟研究
J Chem Phys. 2008 Feb 14;128(6):064903. doi: 10.1063/1.2837459.
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Scaling exponent and Kuhn length of pinned polymers by single molecule force spectroscopy.通过单分子力谱法测定受限聚合物的标度指数和库恩长度
Phys Rev Lett. 2006 Nov 24;97(21):218301. doi: 10.1103/PhysRevLett.97.218301. Epub 2006 Nov 20.
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Friction of single polymers at surfaces.单聚合物在表面的摩擦
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Cyclic motion of a grafted polymer under shear flow.接枝聚合物在剪切流作用下的循环运动。
Phys Rev Lett. 2006 Mar 3;96(8):088303. doi: 10.1103/PhysRevLett.96.088303. Epub 2006 Mar 2.
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Irreversible adsorption of tethered chains at substrates: Monte Carlo study.底物上束缚链的不可逆吸附:蒙特卡罗研究。
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Molecular dynamics study of tethered polymers in shear flow.剪切流中拴系聚合物的分子动力学研究。
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