Improvement of dissipative particle dynamics method by taking into account the particle size

Document Type : Research Note

Authors

1 Department of Mechanical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran.

2 Department of Mechanical Engineering, Foolad Institute of Technology, Fooladshahr, Isfahan, P.O. Box 84915651, Iran.

3 Center of Excellence in Energy Conversion, Department of Mechanical Engineering, Isfahan University of Technology, Isfahan, P.O. Box 8415683111, Iran.

Abstract

In this paper, flow past a single Dissipative Particle Dynamics (DPD) particle with low Reynolds number is investigated and it is inquired that whether a single DPD particle immersed in a fluid, has an intrinsic size. Then a minimum length scale is determined such that the hydrodynamic behavior based on standard DPD formulation is modeled correctly. Almost all of the previous studies assume the DPD particles as point centers of repulsion with no intrinsic size. Hence to prescribe the size of a simulating sphere, a structure of frozen DPD particles is created. In this paper two effective radii, Stokes-Einstein radius and a radius based on the Stokes law, for DPD particles are introduced. For small Reynolds numbers; it is proved that the two radii approach each other. Finally in spite of the typical simulations which assume DPD particles as point centers of repulsion, it is concluded that each of the individual DPD particles interact with other particles as a sphere with non-zero radius. It results the reduction of the required number of particles and eventuates more economical simulations. Moreover contemplating the radius of the particles is necessary for the new Low-Dimensional model which is derived based on the DPD method.

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References

References:
1. Chen, S., Phan-Thien, N., Khoo, B.C., and Fan, X.J. "Flow around spheres by dissipative particle dynamics", Physics of Fluids, 18(10), 103605 (2006).
2. Pryamitsyn, V. and Ganesan, V. "A coarse-grained explicit solvent simulation of rheology of colloidal suspensions", Journal of Chemical Physics, 122(10), 104906 (2005).
3. Symeonidis, V., Caswell, B., and Karniadakis, G.E. "Dissipative particle dynamics simulations of polymer chains: Scaling laws and shearing response compared to DNA experiments", Physical Review Letters, 95, 076001 (2005).
4. Yaghoubi, S., Pishevar, A.R., Saidi, M.S., and Shirani, E. "Modeling self-assembly of the surfactants into biological bilayer membranes with special chemical structures using dissipative particle dynamics method", Scientia Iranica, 23(3), pp. 942-950 (2016).
5. Kumar, A., Asako, Y., Abu-nada, E., Krafczyk, M., and Faghri, M. "From dissipative particle dynamics to physical scales: A coarse-graining study for water  flow in microchannel", Micro fluid Nanofluid Journal, 7, pp. 467-477 (2009).
6. Hoogerbrugge, P.J. and Koelman, J.M.V.A. "Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics", Europhys. Lett., 19(3), pp. 155-160 (1992).
7. Groot, R.D. and Warren, P.B. "Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation", Journal of Chemical Physics, 107(11), pp. 4423-4435 (1997).
8. Espanol, P. and Warren, P.B. "Statistical mechanics of dissipative particle dynamic", Europhysics Letters, 30(4), pp. 191-196 (1995).
9. Yaghoubi, S., Shirani, E., Pishevar, A.R., and Afshar, Y. "New modified weight function for the dissipative force in the DPD method to increase the Schmidt number", Europhysics Letters, 110, 24002 (2015).
10. Fan, X.J., Phan-Thien, N., Chen, S., Wu, X.H., and Ng, T.Y. "Simulating  flow of DNA suspension using dissipative particle dynamics", Physics of Fluids, 18(6), p. 063102 (2006).
11. Pan, W., Fedosov, D.A., Karniadakis, G.E., and Caswell, B. "Hydrodynamic interactions for single dissipative-particle-dynamics particles and their clusters and filaments", Physical Review E, 78(4), 046706 (2008).
12. Frenkel, D. and Smit, B., Understanding Molecular Simulation from Algorithms to Applications, Academic Press, California (2002).
13. Lees, A.W. and Edwards, S.F. "The computer study of transport processes under extreme conditions", J. of Phys. C: Solid State Physics, 5, 1921 (1972).
14. Fax, R.W. and McDonald, A.T., Introduction to Fluid Mechanics, Wiley Publications, fourth edition (1978).
15. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids, Oxford Science Publications, Oxford (1987).
16. Verlet, L. "Computer experiment on classical  fluids I. Thermodynamical properties of Lennard-Jones molecules", Physical Review, 159, pp. 98-103 (1967).
17. Tiwari, A., "Dissipative particle dynamics model for two phase  flows", Ph.D. Thesis, University of Purdue (2006).
18. Pan, W., "Single particle DPD: Algorithms and applications", Ph.D. Thesis, University of brown, (2010).
19. Espanol, P. "Fluid particle model", Physical Review E, 57(3), pp. 2930-2948 (1998).
20. Espanol, P. "Fluid particle dynamics: A synthesis of dissipative particle dynamics and smoothed particle dynamics", Europhysics Letters, 39(6), pp. 605-610(1997).
21. Espanol, P. and Revenga, M. "Smoothed dissipative particle dynamics", Physical Review E, 67, 026705 (2003).
22. Pan, W., Pivkin, I.V., and Karniadakis, G.E. "Singleparticle hydrodynamics in dpd: A new formulation", Europhysics Letters, 84(1), 10012 (2008).
Scientia Iranica
Volume 26, Issue 3
Transactions on Mechanical Engineering (B)
May and June 2019
Pages 1438-1445

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History

  • Receive Date: 07 August 2016
  • Revise Date: 18 December 2017
  • Accept Date: 24 September 2018

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