Abstract
Phase coexistence of Morse fluids is predicted for parameters in the range describing the behavior of metals using the grand-canonical transition matrix Monte Carlo method. The critical properties of the vapor-liquid equilibrium curves for three fcc metals, Al, Cu, and Au, and two bcc alkali metals, Na and K, are estimated and the critical temperature values are found to be in good agreement with the experimental data for the fcc metals considered but overestimated for the bcc metals. For Na, it was found that the critical density and vapor pressure as a function of temperature (below the critical temperature) estimates to be approximately concurrent with experimental results.
| Original language | English |
|---|---|
| Pages (from-to) | 1-6 |
| Number of pages | 6 |
| Journal | Fluid Phase Equilibria |
| Volume | 248 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 2006 Oct 5 |
| Externally published | Yes |
Keywords
- Critical properties
- Grand canonical transition matrix Monte Carlo method
- Morse fluids
- Vapor-liquid equilibrium
ASJC Scopus subject areas
- General Chemical Engineering
- General Physics and Astronomy
- Physical and Theoretical Chemistry