Wang Jizeng, Li Kai
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). 2019 Feb 4;11(2):260. doi: 10.3390/polym11020260.
We investigated the statistical behaviors of semiflexible polymer chains, which were simultaneously subjected to force stretching and rectangular tube confinement. Based on the wormlike chain model and Odijk deflection theory, we derived a new deflection length, by using which new compact formulas were obtained for the confinement free energy and force⁻confinement⁻extension relations. These newly derived formulas were justified by numerical solutions of the eigenvalue problem associated with the Fokker⁻Planck governing equation and extensive Brownian dynamics simulations based on the so-called generalized bead-rod (GBR) model. We found that, compared to classical deflection theory, these new formulas were valid for a much more extended range of the confinement size/persistence length ratio and had no adjustable fitting parameters for sufficiently long semiflexible chains in the whole deflection regime.
我们研究了半柔性聚合物链的统计行为，这些链同时受到力拉伸和矩形管限制。基于蠕虫状链模型和奥迪克挠度理论，我们推导了一个新的挠曲长度，利用该挠曲长度得到了关于限制自由能和力-限制-伸长关系的新的简洁公式。这些新推导的公式通过与福克-普朗克控制方程相关的特征值问题的数值解以及基于所谓广义珠杆（GBR）模型的广泛布朗动力学模拟得到了验证。我们发现，与经典挠度理论相比，这些新公式在限制尺寸/持久长度比的更广泛范围内有效，并且对于整个挠度范围内足够长的半柔性链没有可调整的拟合参数。
