TY - JOUR
T1 - Effect of uniform electric field on homogeneous vapor-liquid nucleation and phase equilibria. II. Extended simple point charge model water
AU - Gao, G. T.
AU - Oh, K. J.
AU - Zeng, X. C.
N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].
PY - 1999/2/1
Y1 - 1999/2/1
N2 - The effects of a uniform electric field on homogeneous vapor-liquid nucleation of the extended simple point charge (SPC/E) model water have been simulated. A grand canonical Monte Carlo simulation approach [I. Kusaka et al., J. Chem. Phys. 108, 3416 (1998)], which directly gives the equilibrium distribution of physical clusters, is employed to calculate the formation free energy of the SPC/E water cluster. The results show that the formation free energy is lowered in a uniform field if the chemical potential of the supersaturated vapor is fixed; in this case, the field enhances the rate of nucleation. However, if the vapor supersaturation or pressure is fixed, the formation free energy increases with the field, that is, the field reduces the rate of nucleation. This conclusion is consistent with an earlier study using the i/v cluster theory for weakly dipolar Stockmayer fluid in a uniform field (Part I). A byproduct of this work is the vapor-liquid coexistence (binodal) of the SPC/E water in the presence of the electric field. © 1999 American Institute of Physics.
AB - The effects of a uniform electric field on homogeneous vapor-liquid nucleation of the extended simple point charge (SPC/E) model water have been simulated. A grand canonical Monte Carlo simulation approach [I. Kusaka et al., J. Chem. Phys. 108, 3416 (1998)], which directly gives the equilibrium distribution of physical clusters, is employed to calculate the formation free energy of the SPC/E water cluster. The results show that the formation free energy is lowered in a uniform field if the chemical potential of the supersaturated vapor is fixed; in this case, the field enhances the rate of nucleation. However, if the vapor supersaturation or pressure is fixed, the formation free energy increases with the field, that is, the field reduces the rate of nucleation. This conclusion is consistent with an earlier study using the i/v cluster theory for weakly dipolar Stockmayer fluid in a uniform field (Part I). A byproduct of this work is the vapor-liquid coexistence (binodal) of the SPC/E water in the presence of the electric field. © 1999 American Institute of Physics.
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U2 - 10.1063/1.477959
DO - 10.1063/1.477959
M3 - RGC 21 - Publication in refereed journal
SN - 0021-9606
VL - 110
SP - 2533
EP - 2538
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 5
ER -