Abstract
Dissipative Particle Dynamics (DPD) is a particle model that allows to simulate complex fluids at mesoscopic scales. Since its introduction a decade ago it has been applied to a large variety of different complex fluid systems. At the same time, generalizations of the model have been introduced in order to refine the concept of dissipative particle. Here, I offer my personal view about the status of DPD as a model for simulating complex fluids, review part of the literature on applications, and sketch some lines for future research.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
P. J. Hoogerbrugge and J. M. V. A. Koelman. Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Europhys. Lett., 19, 155 (1992).
P. Espanol and P. Warren. Statistical mechanics of dissipative particle dynamics. Europhys. Lett., 30, 191 (1995).
P. Espanol. Hydrodynamics for dissipative particle dynamics. Phys. Rev. E, 52, 1734 (1995).
C. Marsh, G. Backx, and M.H. Ernst. Fokker-planck-boltzmann equation for dissipative particle dynamic. Europhys. Lett, 38, 411 (1997). C. Marsh, G. Backx, and M.H. Ernst. Static and dynamic properties of dissipative particle dynamics. Phys. Rev. E, 56, 1976 (1997). M. Ripoll, P. Espanol, and M. H. Ernst. Dissipative particle dynamics with energy conservation: Heat conduction. Int. J. of Mod. Phys. C, 9, 1329 (1998). G. T. Evans. Dissipative particle dynamics: Transport coefficients. J. Chem. Phys, 110, 1338 (1999). A. J. Masters and P. B. Warren. Kinetic theory for dissipative particle dynamics: The importance of collisions. Europhys. Lett., 48, 1 (1999). M. Ripoll, M. H. Ernst, and P. Espanol. Large scale and mesoscopic hydrodynamic for dissipative particle dynamics. J. Chem. Phys, 115, 7271 (2001).
R. D. Groot and P. B. Warren. Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. J. Chem. Phys, 107, 4423 (1997).
M. Serrano and P. Espanol. Thermodynamically consistent mesoscopic fluid particle model. Phys. Rev. E, 65:46115 (2001).
P. Espanol and M. Revenga. Smoothed Dissipative Particle Dynamics, preprint.
L. D. Landau and E. M. Lifshitz, Fluid Mechanics, (Pergamon Press, 1959).
S. R. de Groot and P. Mazur, Non-equilibrium Thermodynamics (North Holland Publishing Company, Amsterdam, 1964).
M. Grmela and H. C. Ottinger. Dynamics and thermodynamics of complex fluids. I. Development of a general formalism, Phys. Rev. E, 56, 6620 (1997). H.C. Ottinger and M. Grmela. Dynamics and thermodynamics of complex fluids. II. Ilustrations of a general formalism, Phys. Rev. E, 56, 6633 (1997).
H. C. Ottinger. General Projection operator formalism for the dynamics and thermodynamics of complex fluids, Phys. Rev. E, 57, 1416 (1998).
M. Serrano, G. de Fabritiis, P. Espanol, Eirik Flekkoy and P.V. Coveney. Mesoscopic dynamics of Voronoi fluid particles, to appear in J. Phys. A: Math. Gen. (2002).
L.B. Lucy. A numerical testing of the fission hypothesis, Astron. J. 82, 1013 (1977).
J.J. Monaghan. Smoothed Particle Hydrodynamics. Annu. Rev. Astron. Astrophys. 30, 543 (1992).
H. Takeda, S.M. Miyama, and M. Sekiya, Prog. Theor. Phys.,92, Numerical simulation of viscous flow by Smoothed Particle Hydrodynamics. 939 (1994).
H.A. Posch, W.G. Hoover, and O. Kum. Steady state shear flows via nonequilibrium molecular dynamics and smooth-particle applied mechanics. Phys. Rev. E, 52, 1711 (1995). O. Kum, W.G. Hoover, and H.A. Posch. Viscous conducting fows with smooth- particle applied mechanics. Phys. Rev. E, 52, 4899 (1995).
S.J. Watkins, A.S. Bhattal, N. Francis, J.A. Turner, A.P. Whitworth. A new prescription for viscosity in Smoothed Particle Hydrodynamics. Astron. Astrophys. Suppl. Ser., 119, 177 (1996).
P.W. Cleary and J.J. Monaghan. Conduction modelling using Smoothed Particle Hydrodynamics. J. Comp. Phys., 148, 227 (1999).
P. Espanol. Fluid particle model. Phys. Rev. E, 57, 2930 (1998). P. Espanol. Fluid particle dynamics: a syntehsis of dissipative particle dynamics and smoothed particle dynamics. Europhys. Lett., 39, 606 (1997).
J. Bonet-Avalos and A. D. Mackie. Dissipative particle dynamics with energy conservation. Europhys. Lett., 40, 141 (1997). J. Bonet-Avalos and A. D. Mackie. Dynamic and transport properties of dissipative particle dynamics with energy conservation. J. Chem. Phys, 11, 5267 (1999).
P. Espanol. Dissipative particle dynamics with energy conservation. Europhys. Lett., 40, 631 (1997). M. Ripoll, P. Espanol, and M. H. Ernst. Dissipative particle dynamics with energy conservation: Heat conduction. Int. J. of Mod. Phys. C, 9, 1329 (1998).
I. Pagonabarraga and D. Frenkel. Dissipative particle dynamics for interacting systems. J. Chem. Phys, 115, 5015 (2001).
P. Espanol, M. Serrano, and H. C. Ottinger. Thermodinamically admisible form for discrete hydrodynamics. Phys. Rev. Lett., 83:4552, 1999.
The input values of the transport coefficients are realized only in the long wavelength limit, of course.
E. G. Flekkoy and P. V. Coveney. From molecular to dissipative particle dynamics. Phys. Rev. Lett., 83 1775 (1999). E. G. Flekkoy, P. V. Coveney, and G. D. Fabritiis. Foundations of dissipative particle dynamics. Phys. Rev. E, 62, 2140 (2000).
P.W. Randles and L.D. Libersky. Smoothed Particle Hydrodynamics: Some recent improvements and applications. Comput. Methods Appl. Mech. Engrg. 139, 375 (1996).
P. Warren. Disspative particle dynamics. Curr. Opinion Colloid Interface Sci., 3, 620 (1998).
J. M. V. A. Koelman and P. J. Hoogerbrugge. Dynamic simulations of hard-sphere suspensions under steady state shear. Europhys. Lett., 21, 363 (1993).
E. S. Boek, P. V. Coveney, and H.N.W. Lekkerkerker. Computer simulation of rheological phenomena in dense colloidal suspensions with dissipative particle dynamics. J. Phys.: Condens. Matter, 8, 9509 (1996). E. S. Boek, P. V. Coveney, H. N. W. Lekkerkerker, and P. van der Schoot. Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics. Phys. Rev. E, 55, 3124 (1997). E. S. Boek and P. van der Schoot. Resolution effects in dissipative particle dynamics simulations. Int. J. of Mod. Phys. C, 9, 1307 (1998).
W. Dzwinel and D. A. Yuen. A two-level, discrete-particle approach for simulating ordered colloidal structures. Journal of Colloid and Interface Science, 225, 179 (2000).
W. Dzwinel and D. A. Yuen. A two-level, discrete-particle approach for large-scale simulation of colloidal aggregates. Int. J. of Mod. Phys. C, 11, 1037 (2000).
M. Whittle and E. Dickinson, On simulating colloids by dissipative particle dynamics: Issues and complications, J. Colloid and Interface Science. 242, 106 (2001)
J.R. Melrose, J.H. van Vliet, and R.C. Ball. Continuous shear thickening and colloid surfaces. Phys. Rev. Lett., 77, 4660 (1996).
J.X. Zhu, D.J. Durian, J. Muller, D.A. Weitz, and D.J. Pine, Phys. Rev. Lett., 68, 2559 (1992). M. Kao, A. Yodh, and D.J. Pine, Phys. Rev. Lett., 70, 242 (1993).
A. G. Schlijper, P. J. Hoogerbrugge, and C. W. Manke. Computer simulation of dilute polymer solutions with the dissipative particle dynamics method. J. Rheol., 39, 567 (1995).
Y. Kong, C. W. Manke, W. G. Madden, and A. G. Schlijper. Effect of solvent qualityon the conformation and relaxation of polymers via dissipative particle dynamics. J. Chem. Phys, 107, 592 (1997).
N. A. Spenley. Scaling laws for polymers in dissipative particle dynamics. Europhys. Lett., 49, 534 (2000).
Y. Kong, C. W. Manke, W. G. Madden, and A. G. Schlijper. Modeling the rheology of polymer solutions by dissipative particle dynamics. Tribology Letters, 3, 133 (1997).
A. G. Schlijper, C. W. Manke, W. D. Madden, and Y. Kong. Computer simulation of non-newtonian fluid rheology. Int. J. of Mod. Phys. C, 8, 919 (1997).
Y. Kong, C. W. Manke, W. G. Madden, and A. G. Schlijper. Simulation of a confined polymer on solution using the dissipative particle dynamics method. Int. J. Thermophys., 15, 1093 (1994).
J. B. Gibson, K. Chen, and S. Chynoweth. Simulation of particle adsoption onto a polymer-coated using the disspative particle dynamics method. Journal of Colloid and Interface Science, 206, 464 (1998). J. B. Gibson, K. Zhang, K. Chen, S. Chynoweth, and C. W. Manke. Simulation of colloid-polymer systems using disspative particle dynamics, (Preprint).1999.
P. Espanol. Dissipative particle dynamics for a harmonic chain: A first-principles derivation. Phys. Rev. E, 53, 1572 (1996).
A. Uhlherr and D.N. Theodorou, Hierarchical simulation approach to structure and dynamics of polymers. Current Opinion in Solid State & Materials Science, 3, 544 (1998).
W. Tschop, K. Kremer, J. Batoulis, T. Burger, and O. Hahn, Simulation of polymer melts. I. Coarse-graining procedure for polycarbonates. Acta Polymer, 49, 61 (1998).
H. Meyer, O. Biermann, R. Faller, D. Reith, and F. Muller-Plathe. Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties. J. Chem. Phys. 113, 6264 (2000).
R.L.C. Akkermans and W.J. Briels. Coarse-grained interactions in polymer melts: A variational approach. J. Chem. Phys., 115, 6210 (2001).
R.L.C. Akkermans and W.J. Briels. Coarse-grained dynamics of one chain in a polymer melt. J. Chem. Phys., 113, 6409 (2000).
P. V. Coveney and K. Novik. Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics. Phys. Rev. E, 54, 5134 (1996). P.V. Coveney and K. Novik. Erratum: Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics. Phys. Rev. E, 55, 4831 (1997). K.E. Novik and P.V. Coveney. Finite-difference methods for simulation models incorporating nonconservative forces.J. Chem. Phys., 109, 7667 (1998).
K. E. Novik and P. V. Coveney. Using dissipative particle dynamics to model binary immiscible fluids., Int. J. Mod. Phys. C, 8, 909 (1997).
K. E. Novik and P. V. Coveney. Spinodal decomposition off of-critical quenches with a viscous phase using dissipative particle dynamics in two and three spatial dimensions. Phys. Rev. E, 61, 435 (2000).
S. I. Jury, P. Bladon, S. Krishna, and M. E. Cates. Test of dynamical scaling in three-dimensional spinodal decomposition. Phys. Rev. E, 59 R2535, 1999.
V.M. Kendon, J-C. Desplat, P. Bladon, and M.E. Cates Phys. Rev. Lett., 83, 576 (1999).
M. E. Cates, V. M. Kendon, P. Bladon, J-C. Desplat. Inertia, coarsening and fluid motion in binary mixtures, Faraday Disc. Roy. Chem. Soc., 112, 1 (1999).
S. M. Willemsen, T. J. H. Vlugt, H. C. J. Hoefsloot, and B. Smit. Combining dissipative particle dynamics and monte carlo techniques. J. Comp. Phys., 147, 507 (1998).
C. M. Wijmans, B. Smit, and R. D. Groot. Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials. J.Chem. Phys, 114, 7644 (2001).
R. D. Groot, T. J. Madden. Dynamic simulation of diblock copolymer microphase separation. J. Chem. Phys, 108, 8713 (1997).
R. D. Groot, T. J. Madden, and D. J. Tildesley. On the role of hydrodynamic interactions in block copolymer microphase separation. J. Chem. Phys, 110, 9739 (1999).
S. Jury, P. Bladon, M. Cates, S. Krishna, M. Hagen, N. Ruddock, and P. Warren. Simulation of amphiphilic mesophases using dissipative particle dynamics. Phys. Chem. Chem. Phys. 1, 2051 (1999).
M. Venturoli and B. Smit. Simulating the self-assembly of model membranes. Phys. Chem. Comm., 10 (1999).
J.L. Jones, M. Lal, N. Ruddock, and N. A. Spenley. Dynamics of a drop at a liquid/solid interface in simple shear fields: A mesoscopic simulation study. Faraday Discussions, 112, 129 (1999).
P. Malfreyt, D.J. Tildesley, Dissipative particle dynamics of grafted polymer chains between two walls. Langmuir, 16, 4732 (2000).
J.A. Elliott and A.H. Windle. A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites. J. Chem. Phys. 113, 10367 (2000).
B.I.M. ten Bosch, On an extension of Dissipative Particle Dynamics for viscoelastic flow modelling, J. Non-Newtonian Fluid Mech. 83, 231 (1999).
P. Espanol and E.G. Flekkoy, Smoothed dissipative particle dynamics for viscoelastic flows, preprint (2002).
L. E. Reichl, A modern course in statistical physics (Univ. of Texas Press, Austin 1980)
P. Espanol, Fluid particle model for chemical reactions, preprint (2002).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2004 Kluwer Academic Publishers
About this chapter
Cite this chapter
Espanol, P. (2004). Dissipative Particle Dynamics and Other Fluid Particle Models. In: Harik, V.M., Luo, LS. (eds) Micromechanics and Nanoscale Effects. ICASE/LaRC Interdisciplinary Series in Science and Engineering, vol 10. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-1013-9_8
Download citation
DOI: https://doi.org/10.1007/978-94-007-1013-9_8
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-3767-9
Online ISBN: 978-94-007-1013-9
eBook Packages: Springer Book Archive