| 학회 |
한국고분자학회 |
| 학술대회 |
2006년 봄 (04/06 ~ 04/07, 일산킨텍스) |
| 권호 |
31권 1호 |
| 발표분야 |
고분자의 미세 유변학 및 이의 응용 |
| 제목 |
Brownian dynamics simulations on conformation and diffusion of a single polyelectrolyte chain in confined spaces |
| 초록 |
Emerging technologies for single molecule analysis in MEMS devices require understanding the structure and dynamics of polyelectrolyte complex fluids in confined spaces. The conformation and hindered diffusion of a single xanthan polyelectrolyte chain confined in slit channels are examined employing Brownian dynamics simulations. In a coarse-grained Langevin description, the finitely extendable nonlinear elastic (FENE) spring with long-range interactions has been adopted accounting for Rotne-Prager hydrodynamic tensor due to the excluded volume effect. Both the degree of chain stretching and the diffusivity have been characterized as a function of the chain confinement and the Debye screening length. It is evident that the diffusion of the confined xanthan is lower than that in the bulk space, and a charge effect of the channel wall enhances the hindered diffusion. Comparisons between our results and approximate calculations obtained from the literature will be discussed. |
| 저자 |
전명석 |
| 소속 |
한국과학기술(연) |
| 키워드 |
Brownian Dynamics; Coarse-Graining; FENE Spring; Chain Conformation; Hindered Diffusion; Xanthan Polysaccharide
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| E-Mail |
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