RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using bead-spring chain models

Nguyen, H. Q. and Tran, C.-D. and Tran-Cong, T. (2015) RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using bead-spring chain models. CMES: Computer Modeling in Engineering and Sciences, 105 (5). pp. 399-439. ISSN 1526-1492


In this paper, dynamic behaviours of dilute polymer solutions of various bead-spring chain models in shear flow are studied using a coarse-grained method based on the Integrated Radial Basis Function Networks (IRBFNs) and stochastic technique. The velocity field governed by the macroscopic conservation equations is determined by the IRBFN-based method, whereas the evolution of configurations of polymer chains governed by the diffusion stochastic differential equations are captured by the Brownian Configuration Field (BCF) approach. The system of micro-macro equations is closed by the Kramers' expression, which allows for the determination of the polymer stresses in terms of BCF configurations. In this work, all nonlinear effects in a BSC model such as hydrodynamic interaction and excluded volume are considered. Since the simulation requires a considerable computational effort, parallel calculations are performed where possible. As an illustration of the method, the start-up planar Couette flow is examined, in which the evolution of viscometric functions such as shear stress, the first and the second normal stress differences is assessed with various BSC models.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: © 2015 Tech Science Press. Permanent restricted access to published version due to publisher copyright policy.
Faculty/School / Institute/Centre: Current - Faculty of Health, Engineering and Sciences - School of Mechanical and Electrical Engineering
Date Deposited: 11 Nov 2015 03:04
Last Modified: 27 Jul 2016 05:44
Uncontrolled Keywords: Brownian configuration fields; excluded volume; hydrodynamic interaction; integrated radial basis function; nonlinear bead-spring chain models; stochastic coarse-grained simulation
Fields of Research : 01 Mathematical Sciences > 0104 Statistics > 010406 Stochastic Analysis and Modelling
09 Engineering > 0915 Interdisciplinary Engineering > 091501 Computational Fluid Dynamics
09 Engineering > 0913 Mechanical Engineering > 091307 Numerical Modelling and Mechanical Characterisation
Identification Number or DOI: 10.3970/cmes.2015.105.399
URI: http://eprints.usq.edu.au/id/eprint/28036

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