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RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using Bead-Spring Chain models

H.Q. Nguyen1, C.-D. Tran1, T. Tran-Cong1

Computational Engineering and Science Research Centre, Faculty of Health, Engineering and Science, The University of Southern Queensland, Toowoomba, QLD 4350, Australia.

Computer Modeling in Engineering & Sciences 2015, 105(5), 399-439. https://doi.org/10.3970/cmes.2015.105.399

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.

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APA Style
Nguyen, H., Tran, C., Tran-Cong, T. (2015). RBFN stochastic coarse-grained simulation method: part I - dilute polymer solutions using bead-spring chain models. Computer Modeling in Engineering & Sciences, 105(5), 399-439. https://doi.org/10.3970/cmes.2015.105.399
Vancouver Style
Nguyen H, Tran C, Tran-Cong T. RBFN stochastic coarse-grained simulation method: part I - dilute polymer solutions using bead-spring chain models. Comput Model Eng Sci. 2015;105(5):399-439 https://doi.org/10.3970/cmes.2015.105.399
IEEE Style
H. Nguyen, C. Tran, and T. Tran-Cong "RBFN stochastic coarse-grained simulation method: Part I - Dilute polymer solutions using Bead-Spring Chain models," Comput. Model. Eng. Sci., vol. 105, no. 5, pp. 399-439. 2015. https://doi.org/10.3970/cmes.2015.105.399



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