Abstract
This chapter applies molecular dynamics and Monte Carlo method in a practical simulation to demonstrate the microsimulation methods required for the application of the Brownian Dynamics, dissipative particle dynamics, and lattice Boltzmann methods. These methods are useful as simulation tools for a colloidal dispersion or a suspension composed of dispersed particles. They also have many applications in the pharmaceutical field, as well as in science and engineering. The exercise in the chapter is for a BD simulation to discuss how Lennard-Jones particles sediment in the gravitational field for cases when the Brownian motion is expected to be significant. The sedimentation phenomenon of Lennard-Jones particles considers a thermodynamic equilibrium state of Brownian particles dispersed in a base liquid. The particles are assumed to be the Lennard-Jones particle, where the particle-particle interactions can be expressed as a Lennard-Jones potential. The objective of the exercise is to discuss how the Brownian particles in thermodynamic equilibrium sediment after the gravitational field are switched on. The system temperature, gravitational force, and particle-particle interactions are expected to significantly influence the sedimentation phenomenon. This example of a physical phenomenon becomes attractive as a research subject when the particle aggregation is strongly related to the sedimentation. The sample simulation program is written in the C+ programming language.
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