Tethered polyelectrolytes under the action of an electrical field: a molecular-dynamics study.
Tethered polyelectrolytes under the action of an electrical field: a molecular-dynamics study.
复制标题
电场作用下的束缚聚电解质：分子动力学研究。
DOI：
10.1140/epje/i2007-10179-2
复制
发表时间：
2007
期刊：
影响因子：
--
通讯作者：
Slater,GW
中科院分区：
文献类型：
--
作者：
Bertrand,M;Slater,GW
For a polyelectrolyte undergoing electrophoretic motion, it is predicted (D. Long, J.L. Viovy, A. Ajdari, Phys. Rev. Lett.76, 3858 (1996); D. Long, A. Ajdari, Electrophoresis17, 1161 (1996)) that the mechanical force necessary to stall the molecule is substantially smaller than the sum of electrical forces applied on all monomers. In fact, it should be proportional to its hydrodynamic friction coefficient and therefore to the size of its conformation. In our work we examine this prediction using coarse-grained molecular-dynamics simulations in which we explicitly include the polymer, the solvent, the counterions and salt. The electrophoretic mobility of polyelectrolytes is evaluated, the mechanical force necessary to keep the molecules tethered is measured and the resulting anisotropic polymer conformations are observed and quantified. Our results corroborate Longet al.’s prediction.
