Abstract
The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram is dominated by a fluid (or charge-disordered solid) to charge-ordered solid transition that terminates at the maximum density ρ max* =2 and reduced temperature T* ≈0.29. At that point, there is a first-order phase transition between two phases of the same density, one charge-ordered, and the other charge-disordered. The liquid-vapor transition for the model is metastable, lying entirely within the fluid-solid phase envelope.
| Original language | English (US) |
|---|---|
| Article number | 194509 |
| Journal | Journal of Chemical Physics |
| Volume | 124 |
| Issue number | 19 |
| DOIs | |
| State | Published - May 21 2006 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry