Dommersnes Paul G, Kantor Yacov, Kardar Mehran
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Sep;66(3 Pt 1):031802. doi: 10.1103/PhysRevE.66.031802. Epub 2002 Sep 19.
The interplay of topological constraints and Coulomb interactions in static and dynamic properties of charged polymers is investigated by numerical simulations and scaling arguments. In the absence of screening, the long-range interaction localizes irreducible topological constraints into tight molecular knots, while composite constraints are factored and separated. Even when the forces are screened, tight knots may survive as local (or even global) equilibria, as long as the overall rigidity of the polymer is dominated by the Coulomb interactions. As entanglements involving tight knots are not easy to eliminate, their presence greatly influences the relaxation times of the system. In particular, we find that tight knots in open polymers are removed by diffusion along the chain, rather than by opening up. The knot diffusion coefficient actually decreases with its charge density, and for highly charged polymers the knot's position appears frozen.
通过数值模拟和标度论证,研究了拓扑约束与库仑相互作用在带电聚合物静态和动态性质中的相互作用。在没有屏蔽的情况下,长程相互作用将不可约拓扑约束定位到紧密的分子结中,而复合约束则被分解和分离。即使力被屏蔽,只要聚合物的整体刚性由库仑相互作用主导,紧密的结仍可能作为局部(甚至全局)平衡存在。由于涉及紧密结的缠结不容易消除,它们的存在极大地影响了系统的弛豫时间。特别是,我们发现开放聚合物中的紧密结是通过沿链扩散而不是通过解开而去除的。结扩散系数实际上随着其电荷密度而降低,对于高电荷聚合物,结的位置似乎是固定的。