Projects per year
Abstract
Vapor-liquid coexistence in fluids of charged hard dumbbells, each made up of two oppositely charged hard spheres with diameters sigma and separation d, has been studied using grand-canonical Monte Carlo simulations. In the limit d/sigma -> 0, and with the temperature scaled accordingly, the system corresponds to dipolar hard spheres. For separations in the range 0.3 < d/sigma <= 1 the coexisting vapor phase contains compact clusters. For separations in the range 0.1 <= d/sigma < 0.3 the coexistence is between a chainlike vapor and a networklike liquid. Finite-size effects preclude the simulation of the coexistence in systems with d/sigma < 0.1, but extrapolations of the results to d/sigma -> 0 yield estimates of the apparent critical parameters for dipolar hard spheres. (C) 2007 American Institute of Physics.
Original language | English |
---|---|
Article number | 191104 |
Pages (from-to) | - |
Number of pages | 4 |
Journal | The Journal of Chemical Physics |
Volume | 126 |
Issue number | 19 |
DOIs | |
Publication status | Published - 21 May 2007 |
Keywords / Materials (for Non-textual outputs)
- DIPOLAR FLUIDS
- SPHERES
- CRITICALITY
Fingerprint
Dive into the research topics of 'Vapor-liquid coexistence in fluids of charged hard dumbbells'. Together they form a unique fingerprint.Projects
- 1 Finished
-
Computer simulations of phase equilibria, dynamics and solvation in ionic and polar fluids
1/06/06 → 31/05/09
Project: Research