Self-Consistent Particle-Based Simulations of Three-Dimensional Ionic Solutions
S. Wigger-Aboud, M. Saraniti, Z. Schuss and R. Eisenberg
Rush University and IIT, US
Keywords: Aqueous Solutions, Brownian dynamics, Ion Channels
Ion channels are an important class of proteins responsible for controlling the ion flux into and out of cells, and are interesting in the electronics community for their possible application for new classes of electronics such as of bio-sensors.
This work is motivated by the need to develop reliable simulation tools to properly model the aqueous solution surrounding the ion channels. These tools are important in order to accurately describe the permeation of charge carriers through these pores. In this study, the ionic movement in an aqueous electrolyte solution is studied within the framework of a fully self-consistent Langevin-Poisson solver. This approach includes the resolution of both the long-range forces due to the collective plasma modes and boundary conditions, and the short-range inter-particle interactions resulting from the Coulombic force between close ions.
NSTI Nanotech 2003 Conference Technical Program Abstract