Lee, Jeong Yong Sung, Jung Mun Yoon, Kyu Chun, Myung-Suk Jung, Hyun Wook 2024-01-20T11:00:52Z 2024-01-20T11:00:52Z 2021-09-05 2013-12-20 0253-2964 https://pubs.kist.re.kr/handle/201004/127321 The scaling relationship of the longest relaxation time of a single chain of semiflexible biological polyelectrolyte has been investigated by performing well-established coarse-grained Brownian dynamics simulations. Two kinds of longest relaxation times were estimated from time-sequences of chain trajectories, and their behaviors were interpreted by applying the scaling law for different molecular weights of polyelectrolyte and Debye lengths. The scaling exponents for longest stress relaxation and rotational relaxation are found in the ranges of 1.67-1.79 and 1.65-1.81, respectively, depending on the physicochemical interaction of electrostatic Debye screening. The scaling exponent increases with decreasing screening effect, which is a special feature of polyelectrolytes differing from neutral polymers. It revealed that the weak screening allows a polyelectrolyte chain to follow the behavior in good solvent due to the strong electrostatic repulsion between beads. English KOREAN CHEMICAL SOC BROWNIAN DYNAMICS SIMULATIONS SEMIDILUTE POLYMER-SOLUTIONS SINGLE DNA-MOLECULES SHEAR-FLOW CONFORMATIONAL TRANSITION HYDRODYNAMIC INTERACTIONS SLITLIKE NANOCHANNELS MACROMOLECULES TRANSPORT DILUTE Debye Screening Effect on Scaling Behavior of Longest Relaxation Time of Biological Polyelectrolyte Chain Article 10.5012/bkcs.2013.34.12.3703 1 BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.12, pp.3703 - 3708 BULLETIN OF THE KOREAN CHEMICAL SOCIETY 34 12 3703 3708 scie scopus kci ART001826659 000329144600031 2-s2.0-84891362349 Chemistry, Multidisciplinary Chemistry Article BROWNIAN DYNAMICS SIMULATIONS SEMIDILUTE POLYMER-SOLUTIONS SINGLE DNA-MOLECULES SHEAR-FLOW CONFORMATIONAL TRANSITION HYDRODYNAMIC INTERACTIONS SLITLIKE NANOCHANNELS MACROMOLECULES TRANSPORT DILUTE Polyelectrolyte Mesoscale simulation Relaxation time Scaling law Debye screening