Abstract
We study the nucleation of nearly hard charged colloidal particles. We use Monte Carlo simulations in combination with free-energy calculations to accurately predict the phase diagrams of these particles and map them via the freezing density to hard spheres, then we use umbrella sampling to explore the nucleation process. Surprisingly, we find that even very small amounts of charge repulsion can have a significant effect on the phase behavior. Specifically, we find that phase boundaries and nucleation barriers are mostly dependent on the Debye screening length and that even screening lengths as small as 2% of the particle diameter are sufficient to show marked differences in both. This work demonstrates clearly that even mildly charged colloids are not effectively hard spheres.
| Original language | English |
|---|---|
| Article number | 154905 |
| Pages (from-to) | 1-8 |
| Journal | Journal of Chemical Physics |
| Volume | 157 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 21 Oct 2022 |
Bibliographical note
Funding Information:We would like to thank Frank Smallenburg, Michiel Hermes, and Alfons van Blaaderen for many useful discussions. L.F. and M.d.J. acknowledge funding from the Vidi research program with Project No. VI.VIDI.192.102, which is financed by the Dutch Research Council (NWO).
Publisher Copyright:
© 2022 Author(s).
Funding
We would like to thank Frank Smallenburg, Michiel Hermes, and Alfons van Blaaderen for many useful discussions. L.F. and M.d.J. acknowledge funding from the Vidi research program with Project No. VI.VIDI.192.102, which is financed by the Dutch Research Council (NWO).