Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Argon clusters phase transitions

The gap which appears separates clusters into sub- and supercritical classes, and the width of the gap provides bounds on the number of atoms in the "critical" cluster. It is important to realize that nucleation has introduced yet another time scale into the MD simulation--the time required for spontaneous generation of the "critical" nucleus which, in a non-adiabatic system, initiates an irreversible transition from the metastable initial vapor state to the stable liquid phase. Although the implications of this time scale have not been treated in. the Argon studies, they will be examined in the simulations of nonequilibrium phase transitions which follow. (Note These nucleation results have now been verified in a recent MD/MC study by Rao, Berne, and Kalos, Ref. )... [Pg.236]

Fig. 5.4. Top A graphic representation of the role played by Arn-HX clusters in the transition from isolated gas phase molecules and the condensed phase. Bottom Left Vibrational orgins for complexes of DF/HF and argon as a function of n, the number of Ar atoms in the complex. The corresponding vibrational origins of DF and HF observed in argon matrices are also shown. Bottom Right Fractional vibrational redshifts for ArnHF and ArnDF as a function of n. The redshifts for n = 3 are nearly 50% of the matrix values, in which the DF/HF is surrounded by 12 nearest neighbors in the first solvation shell. Fig. 5.4. Top A graphic representation of the role played by Arn-HX clusters in the transition from isolated gas phase molecules and the condensed phase. Bottom Left Vibrational orgins for complexes of DF/HF and argon as a function of n, the number of Ar atoms in the complex. The corresponding vibrational origins of DF and HF observed in argon matrices are also shown. Bottom Right Fractional vibrational redshifts for ArnHF and ArnDF as a function of n. The redshifts for n = 3 are nearly 50% of the matrix values, in which the DF/HF is surrounded by 12 nearest neighbors in the first solvation shell.

See other pages where Argon clusters phase transitions is mentioned: [Pg.98]    [Pg.130]    [Pg.300]    [Pg.1008]    [Pg.384]    [Pg.371]    [Pg.523]    [Pg.155]    [Pg.216]    [Pg.23]    [Pg.129]    [Pg.82]    [Pg.25]    [Pg.379]    [Pg.259]   
See also in sourсe #XX -- [ Pg.98 ]




SEARCH



Argon clusters

Cluster phase

© 2024 chempedia.info