RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using bead-spring chain models
Article
Article Title | RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using bead-spring chain models |
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ERA Journal ID | 3460 |
Article Category | Article |
Authors | Nguyen, H. Q. (Author), Tran, C.-D. (Author) and Tran-Cong, T. (Author) |
Journal Title | CMES Computer Modeling in Engineering and Sciences |
Journal Citation | 105 (5), pp. 399-439 |
Number of Pages | 41 |
Year | 2015 |
Place of Publication | United States |
ISSN | 1526-1492 |
1526-1506 | |
Digital Object Identifier (DOI) | https://doi.org/10.3970/cmes.2015.105.399 |
Web Address (URL) | https://www.techscience.com/CMES/v105n5/27225 |
Abstract | 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. |
Keywords | Brownian configuration fields; excluded volume; hydrodynamic interaction; integrated radial basis function; nonlinear bead-spring chain models; stochastic coarse-grained simulation |
ANZSRC Field of Research 2020 | 490510. Stochastic analysis and modelling |
401204. Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics) | |
401706. Numerical modelling and mechanical characterisation | |
Public Notes | Files associated with this item cannot be displayed due to copyright restrictions. |
Byline Affiliations | Computational Engineering and Science Research Centre |
Institution of Origin | University of Southern Queensland |
https://research.usq.edu.au/item/q3290/rbfn-stochastic-coarse-grained-simulation-method-part-i-dilute-polymer-solutions-using-bead-spring-chain-models
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