A method for determination of chemical potential of associating fluids
Titel:
A method for determination of chemical potential of associating fluids
Auteur:
BRYK, P. PATRYKIEJEW, A. PIZIO, O. SOKOĊOWSKI, S.
Verschenen in:
Molecular physics
Paginering:
Jaargang 90 (1997) nr. 3 pagina's 483-487
Jaar:
1997-02-20
Inhoud:
This note proposes a hybrid computer simulation method for the determination of the chemical potential of associating fluids which combines the osmotic Monte Carlo (MC) experiment and the insertion of test particles. The osmotic MC experiment is similar to that of R. L. Rowley, M. W. Schuck, and J. C. Perry, 1995, Molec. Phys., 86, 125. The approach proposed is tested for the model of dimerizing hard spheres with spherically symmetric intracore square-well attractive interaction. It is shown that the simulation method is successful for the determination of the chemical potential of associating fluids.