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Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow

 

作者: S. W. Fetsko,   P. T. Cummings,  

 

期刊: Journal of Rheology  (AIP Available online 1995)
卷期: Volume 39, issue 2  

页码: 285-299

 

ISSN:0148-6055

 

年代: 1995

 

DOI:10.1122/1.550722

 

出版商: The Society of Rheology

 

关键词: POLYMERS;SOLUTIONS;BROWNIAN MOVEMENT;ELONGATION;TRANSIENTS;HYDRODYNAMICS;STEADY−STATE CONDITIONS

 

数据来源: AIP

 

摘要:

We report results of Brownian dynamics simulations of the steady state and transient rheological behavior of bead and spring chain models in elongational flow. The simulations include examination of the effects of excluded volume, hydrodynamic interactions, chain length, and maximum bond extension. Hydrodynamic interactions are modeled by the Rotne–Prager–Yamakawa tensor. The steady state results for the rheological properties of finitely extensible nonlinear elastic (FENE) chains in the absence of hydrodynamic interactions and excluded volume interactions are compared with the analytic FENE‐PM theory of Wedgewood and co‐workers. For bead and spring models with short bond lengths, excluded volume and hydrodynamic interactions are shown to affect the steady state rheological properties significantly.

 

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