Algorithmic methods fluid particle model

The first MC (16) and MD (17) studies were used to simulate the properties of single particle fluids. Although the basic MC (11,12) and MD (12,13) methods have changed little since the earliest simulations, the systems simulated have continually increased in complexity. The ability to simulate complex interfacial systems has resulted partly from improvements in simulation algorithms (15,18) or in the interaction potentials used to model solid surfaces (19). The major reason, however, for this ability has resulted from the increasing sophistication of the interaction potentials used to model liquid-liquid interactions. These advances have involved the use of the following potentials Lennard-Jones 12-6 (20), Rowlinson (21), BNS... 

Modeling Mesoscopic Fluids with Discrete-Particles — Methods, Algorithms, and Results... 

For the numerical simulation of flowing polymers, several mesoscopic models have been proposed in the last few years that describe polymer (hydro-)dynamics on a mesoscopic scale of several micrometers, typically. Among these methods, we like to mention dissipative particle dynamics (DPD) [168], stochastic rotation dynamics (sometimes also called multipartide collision dynamics) [33], and lattice Boltzmann algorithms [30]. Hybrid simulation schemes for polymer solutions have been developed recenfly, combining these methods for solvent dynamics with standard particle simulations of polymer beads (see Refs [32, 169, 170]). Extending the mesoscopic fluid models to nonideal fluids including polymer melts is currently in progress [30, 159,160,171]. 

In this article we will focus on systems which comprise particles, with or without internal degrees of freedom, suspended in a simple fluid. We will first outline the necessary ingredients for a theoretical description of the dynamics, and in particular explain the concept of hydrodynamic interactions (HI). Starting from this background, we will provide a brief overview of the various simulation approaches that have been developed to treat such systems. All of these methods are based upon a description of the solute in terms of particles, while the solvent is taken into account by a simple (but sufficient) model, making use of the fact that it can be described as a Newtonian fluid. Such methods are often referred to as mesoscopic. We will then describe and derive in some detail the algorithms that have been developed by us to couple a particulate system to a LB fluid. The usefulness of these methods will then be demonstrated by applications to colloidal dispersions and polymer solutions. Some of the material presented here is a summary of previously published work. 

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