School of Mathematics and Computational Science, Xiangtan University, Xiangtan, Hunan 411105, People's Republic of China.
J Chem Phys. 2013 Jun 28;138(24):244910. doi: 10.1063/1.4811515.
One of the essential physical quantities used to study the conformation and structure of polymers is the so-called propagator in polymer theories. On the basis of the wormlike-chain statistical-physics model, we derive the partial diffusion equation that the propagator satisfies, for a curvilinear coordinate system. As it turns out, an additional term exists, that couples the rotating local coordinate frame with an orientation differential operator; this term has not been previously documented. In addition, for a wormlike chain moving on a curved surface, the external-field term needs to be supplemented by a surface curvature energy penalty.
聚合物理论中用于研究聚合物构象和结构的基本物理量之一是所谓的传播子。基于蠕虫链统计物理模型,我们推导了在曲线坐标系中传播子所满足的偏扩散方程。结果表明,存在一个附加项,它将旋转的局部坐标系与一个取向微分算子耦合;这个项以前没有被记录过。此外,对于在曲面上运动的蠕虫链,外部场项需要补充表面曲率能量罚项。