Field-induced alignment of flexible polyelectrolytes in solution.

作者: Tak Shing Lo , Boris Khusid , Joel Koplik

DOI: 10.1103/PHYSREVLETT.104.218303

关键词:

摘要: Molecular dynamics simulations are used to study dynamical coupling between conformational fluctuations of a highly charged flexible macromolecule and its surrounding ionic cloud. We find that the basic model polyelectrolyte as chain monomers captures main experimental findings on field-induced alignment polyelectrolytes despite simplicity. Contrary current theories, correlated local charge field in vicinity found dominate along an external field. suggest short-lived monomer-counterion clustering can be probed by measuring anisotropy x-ray neutron scattering from polymer solutions.

参考文章(24)
H BOROUDJERDI, Y KIM, A NAJI, R NETZ, X SCHLAGBERGER, A SERR, Statics and Dynamics of Strongly Charged Soft Matter arXiv: Soft Condensed Matter. ,(2005) , 10.1016/J.PHYSREP.2005.06.006
Jean-Louis Viovy, Electrophoresis of DNA and other polyelectrolytes: Physical mechanisms Reviews of Modern Physics. ,vol. 72, pp. 813- 872 ,(2000) , 10.1103/REVMODPHYS.72.813
F Bordi, C Cametti, R H Colby, Dielectric spectroscopy and conductivity of polyelectrolyte solutions Journal of Physics: Condensed Matter. ,vol. 16, ,(2004) , 10.1088/0953-8984/16/49/R01
Gary S. Grest, Kurt Kremer, Molecular dynamics simulation for polymers in the presence of a heat bath. Physical Review A. ,vol. 33, pp. 3628- 3631 ,(1986) , 10.1103/PHYSREVA.33.3628
Rakwoo Chang, Arun Yethiraj, Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent Journal of Chemical Physics. ,vol. 118, pp. 6634- 6647 ,(2003) , 10.1063/1.1558312
Rakwoo Chang, Arun Yethiraj, Osmotic Pressure of Salt-Free Polyelectrolyte Solutions: A Monte Carlo Simulation Study Macromolecules. ,vol. 38, pp. 607- 616 ,(2005) , 10.1021/MA0486952
Kazuyoshi Ueda, Nobu Iizumi, Masaru Sakomura, Orientation Behavior of Polyelectrolyte in Solution under an External Electric Field. A Coarse Grain Molecular Dynamics Simulation Study Bulletin of the Chemical Society of Japan. ,vol. 78, pp. 430- 434 ,(2005) , 10.1246/BCSJ.78.430
Tak Shing Lo, Boris Khusid, Joel Koplik, Dynamical clustering of counterions on flexible polyelectrolytes. Physical Review Letters. ,vol. 100, pp. 128301- ,(2008) , 10.1103/PHYSREVLETT.100.128301