Li Runhua, Wang Jizeng
Key Laboratory of Mechanics on Disaster and Environment in Western China, Ministry of Education, College of Civil Engineering and Mechanics, Lanzhou University, Lanzhou 730000, Gansu, China.
Polymers (Basel). 2016 Sep 9;8(9):328. doi: 10.3390/polym8090328.
How the statistical behavior of semiflexible polymer chains may be affected by force stretching and tube confinement is a classical unsolved problem in polymer physics. Based on the Odijk deflection theory and normal mode decomposition in terms of Fourier expansion, we have derived a new compact formula for the extension of a wormlike chain of finite length strongly confined in a tube and simultaneously stretched by an external force. We have also suggested a new deflection length, which together with the force-extension relation is valid for a very extended range of the tube-diameter/persistence-length ratio comparing to the classic Odijk theory. The newly derived formula has no adjustable fitting parameters for the whole deflection regime; in contrast, the classic Odijk length needs different prefactors to fit the free energy and average extension, respectively. Brownian dynamics simulations based on the Generalized Bead-Rod (GBR) model were extensively performed, which justified the theoretical predictions.
半柔性聚合物链的统计行为如何受到力拉伸和管限制的影响是聚合物物理学中一个经典的未解决问题。基于奥迪克(Odijk)挠度理论和傅里叶展开的简正模式分解,我们推导出了一个新的紧凑公式,用于计算有限长度的蠕虫状链在管中受到强烈限制并同时受到外力拉伸时的伸长量。我们还提出了一个新的挠度长度,与经典的奥迪克理论相比,它与力-伸长关系在非常宽的管直径/持久长度比范围内都是有效的。新推导的公式在整个挠度范围内没有可调整的拟合参数;相比之下,经典的奥迪克长度需要不同的前置因子来分别拟合自由能和平均伸长量。基于广义珠杆(GBR)模型进行了广泛的布朗动力学模拟,证实了理论预测。