DOI: 10.1063/1.444519. A study of the critical cluster size for water monolayer clusters on a model AgI basal substratea)

A study of the critical cluster size for water monolayer clusters on a model AgI basal substratea)

10.1063/1.444519

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We present a formalism and estimate a critical cluster size for water monolayer formation on a (rigid) model AgI basal substrate. The formalism is modified from that developed for vapor clusters [B. N. Hale and R. C. Ward, J. Stat. Phys. 28, 487 (1982)] and uses a Metropolis Monte Carlo method developed by Squire and Hoover [J. Chem. Phys. 50, 701 (1969)] to determine (Helmholtz) free energy differences for clusters containing n and n−1 molecules. Calculations for clusters of n=1, 2, 3, 4, 6, and 24 water molecules on a model AgI basal face at 265 K are used in a statistical mechanical formalism which assumes that the adsorbed clusters form a mixture of noninteracting ideal gases; the adsorbed monomer concentration is related to the vapor concentration at the same temperature. At water saturation and 265 K a critical cluster size of n*=3 molecules and a steady state nucleation rate (for monolayer formation) of 1023 cm−2 s−1 is predicted. The implications of this for ice nucleation on the model AgI substrate under atmospheric conditions are discussed.

Bibliography

Ward, R. C., Hale, B. N., & Terrazas, S. (1983). A study of the critical cluster size for water monolayer clusters on a model AgI basal substratea). The Journal of Chemical Physics, 78(1), 420â423.

Authors 3

Richard C. Ward (first)
Barbara N. Hale (additional)
Sergio Terrazas (additional)

References 16 Referenced 25

{'key': '2024020923111630400_r1'}
{'key': '2024020923111630400_r2'}
10.1007/BF01008320 / J. Stat. Phys. (1982)
10.1016/0021-9991(76)90078-4 / J. Comput. Phys. (1976)
10.1063/1.1671118 / J. Chem. Phys. (1969)
10.1039/dc9766100034 / Faraday Discuss. Chem. Soc. (1976)
10.1063/1.432264 / J. Chem. Phys. (1976)
10.1063/1.440211 / J. Chem. Phys. (1980)
10.1063/1.444194 / J. Chem. Phys. (1982)
10.1063/1.435738 / J. Chem. Phys. (1978)
10.1007/BF01012887 / J. Stat. Phys. (1975)
{'key': '2024020923111630400_r11'}
10.1103/PhysRevLett.47.186 / Phys. Rev. Lett. (1981)
10.1063/1.1699114 / J. Chem. Phys. (1953)
{'key': '2024020923111630400_r13'}
10.1063/1.442309 / J. Chem. Phys. (1981)

Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 11:47 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:43 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 8:21 p.m.)
Issued	42 years, 7 months ago (Jan. 1, 1983)
Published	42 years, 7 months ago (Jan. 1, 1983)
Published Print	42 years, 7 months ago (Jan. 1, 1983)

Funders 0

None

BibTeX

@article{Ward_1983, title={A study of the critical cluster size for water monolayer clusters on a model AgI basal substratea)}, volume={78}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.444519}, DOI={10.1063/1.444519}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ward, Richard C. and Hale, Barbara N. and Terrazas, Sergio}, year={1983}, month=jan, pages={420–423} }

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