Steady-state behavior of dilute polymers in elongational flow. Dependence of the critical elongational rate on chain length, hydrodynamic interaction, and excluded volume
Steady-state behavior of dilute polymers in elongational flow. Dependence of the critical elongational rate on chain length, hydrodynamic interaction, and excluded volume
复制标题
稀释聚合物在拉伸流动中的稳态行为。
DOI：
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
J. Torre
中科院分区：
文献类型：
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作者：
J. H. Cifre;J. Torre
用布朗动力学模拟方法研究了柔性高分子链在拉伸流动溶液中的稳态性质。当伸长率e超过某一临界值Ec时，观察到卷曲-拉伸转变。在这项工作中，我们详细描述了模拟过程以及如何从轨迹中提取聚合物尺寸、溶液粘度和双折射。不考虑流体动力相互作用(HI)的初步模拟被用来检验模拟过程，方法是将模拟结果与此类(非物理)情况下的理论预测进行比较。然后，对波动的非平均HI进行了模拟，以提供与实验可比的结果。在考虑分子内势和不考虑分子内势的模拟后，我们得出了一个最重要的结论：EC在theta条件下的链长依赖关系与在良好溶剂条件下的相同。结合EC和其他溶液性质，如最长松弛时间、特性粘度和回转半径，可以得到无量纲化合物量。从我们的模拟结果中，我们得到了这些量的数值，其中包括HI效应，因此这些数值对于分析实验数据是有用的。用布朗动力学模拟方法研究了柔性高分子链在拉伸流动溶液中的稳态性质。当伸长率e超过某一临界值Ec时，观察到卷曲-拉伸转变。在这项工作中，我们详细描述了模拟过程以及如何从轨迹中提取聚合物尺寸、溶液粘度和双折射。不考虑流体动力相互作用(HI)的初步模拟被用来检验模拟过程，方法是将模拟结果与此类(非物理)情况下的理论预测进行比较。然后，对波动的非平均HI进行了模拟，以提供与实验可比的结果。在考虑分子内势和不考虑分子内势的模拟后，我们得出了一个最重要的结论：EC在theta条件下的链长依赖关系与在良好溶剂条件下的相同。将EC与其他溶液属性相结合，如最长松弛时间。
The steady-state properties of flexible polymer chains in solutions undergoing elongational flow have been studied using Brownian dynamics simulation. The coil–stretch transition is observed when the elongational rate, e exceeds a certain critical value ec. In this work, we describe in detail the simulation procedure and how to extract polymer dimensions, solution viscosity, and birefringence from the trajectories. Preliminary simulations involving no hydrodynamic interaction (HI) are used to check the simulation procedures by comparing their results with theoretical predictions for such an (unphysical) case. Afterwards, simulations with fluctuating nonaveraged HI are carried out to provide results comparable with experiments. After simulations with and without intramolecular potential, we arrive at a most important conclusion: the chain length dependence of ec is the same in theta conditions as in good solvent conditions. Combining ec with other solution properties such as the longest relaxation time, the intrinsic viscosity, and the radius of gyration, dimensionless compound quantities can be formulated. From our simulation results, we obtain numerical values for such quantities, which include the HI effect, and which are therefore useful for analyzing experimental data.The steady-state properties of flexible polymer chains in solutions undergoing elongational flow have been studied using Brownian dynamics simulation. The coil–stretch transition is observed when the elongational rate, e exceeds a certain critical value ec. In this work, we describe in detail the simulation procedure and how to extract polymer dimensions, solution viscosity, and birefringence from the trajectories. Preliminary simulations involving no hydrodynamic interaction (HI) are used to check the simulation procedures by comparing their results with theoretical predictions for such an (unphysical) case. Afterwards, simulations with fluctuating nonaveraged HI are carried out to provide results comparable with experiments. After simulations with and without intramolecular potential, we arrive at a most important conclusion: the chain length dependence of ec is the same in theta conditions as in good solvent conditions. Combining ec with other solution properties such as the longest relaxation time...
影响因子：
56.9
作者：
Perkins, TT;Smith, DE;Chu, S
通讯作者：
Chu, S