Environmental Engineering Reference
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Dissipative Particle Dynamics: A Method
to Simulate Soft Matter Systems
in Equilibrium and Under Flow
C. Pastorino and A. Gama Goicochea
Abstract We provide examples and a concise review of the method of Dissipative
Particle Dynamics (DPD), as a simulation tool to study soft matter systems and sim-
ple liquids in equilibrium and under flow. DPD was initially thought as a simulation
method, which in combination with soft potentials, could simulate “fluid particles”
with suitable hydrodynamic correlations. Then DPD evolved to a generic “thermo-
stat” to simulate systems in equilibrium and under flow, with arbitrary interaction
potential among particles. We describe the application of the method with soft poten-
tials and other coarse-grain models usually used in polymeric and other soft matter
systems. We explain the advantages, common problems and limitations of DPD,
in comparison with other thermostats widely used in simulations. The implementa-
tion of the DPD forces in a working Molecular Dynamics (MD) code is explained,
which is a very convenient property of DPD. We present various examples of use,
according to our research interests and experiences, and tricks of trade in different
situations. The use of DPD in equilibrium simulations in the canonical ensemble,
the grand canonical ensemble at constant chemical potential, and stationary Couette
and Poiseuille flows is explained. It is also described in detail the use of different
interaction models for molecules: soft and hard potentials, electrostatic interactions
and bonding interactions to represent polymers. We end this contribution with our
personal views and concluding remarks.
 
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