Computer simulations of the restricted primitive model at very low temperature and density

Details Computer simulations of the restricted primitive model at very low temperature and density Computer simulations of the restricted primitive model at very low temperature and density

2009-09-30

arxiv.org/abs/0909.5657v2

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

The problem of successfully simulating ionic fluids at low temperature and low density states is well known in the simulation literature: using conventional methods, the system is not able to equilibrate rapidly due to the presence of strongly associated cation-anion pairs. In this manuscript we present a numerical method for speeding up computer simulations of the restricted primitive model (RPM) at low temperatures (around the critical temperature) and at very low densities (down to $10^{-10}\sigma^{-3}$, where $\sigma$ is the ion diameter). Experimentally, this regime corresponds to typical concentrations of electrolytes in nonaqueous solvents. As far as we are aware, this is the first time that the RPM has been equilibrated at such extremely low concentrations. More generally, this method could be used to equilibrate other systems that form aggregates at low concentrations.

Affiliated with

Also associated with

No associations

Rating

Computer simulations of the restricted primitive model at very low temperature and density does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Computer simulations of the restricted primitive model at very low temperature and density, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Computer simulations of the restricted primitive model at very low temperature and density will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-590362