A simulation environment for polymeric nanoparticles based on multi-agent systems

J Mol Model. 2018 Dec 18;25(1):5. doi: 10.1007/s00894-018-3889-z.

Abstract

Production and characterization of polymeric nanoparticles, as colloidal dispersions, are processes that require time and technical skills to make the results accurate. Computational simulations in nanoscience have been used to help in these processes and provide agility and support to reach results: stability and quality in dispersions. Multi-Agent System for Polymeric Nanoparticles (MASPN) is an innovative and original simulation environment with features to demonstrate interactions of particles from physical-chemical parameters, ensuring Brownian motion of particles and attractive and repulsive behaviour. The MASPN environment has been designed and has been built according to the feature-driven development (FDD), as software methodology, and a multi-agent systems approach. In addition, we have used the event-driven simulation package algs4, the JASON agent building environment, all integrated by Java language. This paper aims to present the relation of the algs4 package and the JASON tool, both integrated into the MASPN environment to generate Brownian motion with elastic and inelastic collisions. The MASPN environment as a simulation tool emerges as a result, including the following features: graphical interface; integrated physical-chemical parameters; Brownian motion; JASON and algs4 integration; and distribution charts (size, zeta potential, and pH).

Keywords: Artificial intelligence; Cooperative systems; Nanotechnology; Particle collisions; Simulation software.