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Joint Seminar of Center for Quantum Science and Engineering (CQSE) and
Mathematics Division, National Center for Theoretical Sciences (Taipei
Office)
Title: Modeling polymer behavior in dilute solutions using Brownian
dynamics simulations
Time: 3/20/2009 (Fri.) 2:30 PM~3:30 PM
Place: RM 312, New Physics Building
Speaker: Prof. Chih-Chen Hsieh (謝之真) , Dept. of Chemical Engineering,
NTU
Abstract:
Brownian dynamics (BD) simulation technique is a mesoscopic method in
which the interactions between macromolecules/colloids and solvent
molecules are represented by a stochastic force. The ability to coarse-grain out
the fast modes of the solvent allows one to simulate much larger time scales
than in molecular dynamics simulations. In our studies, BD simulations with
the bead-spring model were used to predict the nonlinear transient extensional
and steady-state shear rheological properties of dilute polystyrene solutions in
a theta solvent. All simulation parameters are estimated a priori, and
semi-quantitative results have been obtained. We have also applied the same
method to understand the process of DNA scission by flow and DNA
migration in flow passing a confined geometry. Although quantitative
agreement is yet to be achieved, qualitative agreement between experiments
and simulations has provided valuable insights for these problems.
標題：
【 量 子 科 學 與 工 程 研 究 中 心 演 講 公 告 】 3/20 (Fri.) 邀 請 Prof. Hsyue-Jen
Hsieh (謝真之), Dept. of Chemical Engineering, NTU 於 R312 演 講，敬 邀 各 位 踴 躍
前往參加。
內文：
Time： Mar. 20, 2009（ Fri.） 2： 30 P.M.~3： 30 P.M.
Place： Rm. 312, CCMS & New Physics Building, NTU
Speaker： Prof. Hsyue-Jen Hsieh (謝真之), Dept. of Chemical Engineering,
NTU
Title：Modeling polymer behavior in dilute solutions using Brownian dynamics
simulations