Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water

Kenji Yasuoka; Mitsuhiro Matsumoto

doi:10.1063/1.477510

journal article Nov 15, 1998

Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water

Kenji Yasuoka Mitsuhiro Matsumoto

The Journal of Chemical Physics Vol. 109 No. 19 pp. 8463-8470 · AIP Publishing

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Abstract

Homogeneous nucleation process in the vapor phase of water is investigated with a molecular dynamics computer simulation at 350 K under supersaturation ratio 7.3. Using a method similar to Lennard-Jones fluid (Part I), the nucleation rate is three orders of magnitude smaller than prediction of a classical nucleation theory. The kinetically defined critical nucleus size is 30–45, much larger than the thermodynamically defined value of 1.0 estimated with the classical theory. Free energy of cluster formation is estimated from the cluster size distribution in steady state time region. The predicted nucleation rate with this free energy agrees with the simulation result. It is concluded that considering the cluster size dependence of surface tension is very important.

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References

12

[1]

Molecular dynamics of homogeneous nucleation in the vapor phase. I. Lennard-Jones fluid

Kenji Yasuoka, Mitsuhiro Matsumoto

The Journal of Chemical Physics 1998 10.1063/1.477509

[2]

[3]

[4]

J. Phys. Chem. Ref. Data (1994) 10.1063/1.555951

[5]

Annu. Rev. Phys. Chem. (1995) 10.1146/annurev.pc.46.100195.002421

[6]

J. Chem. Phys. (1993) 10.1063/1.466066

[7]

Constant Temperature Molecular Dynamics Methods

Shūichi Nosé

Progress of Theoretical Physics Supplement 1991 10.1143/ptps.103.1

[8]

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al.

The Journal of Chemical Physics 1983 10.1063/1.445869

[9]

Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water

William L. Jorgensen

Journal of the American Chemical Society 1981 10.1021/ja00392a016

[10]

[11]

Molecular Dynamics Study of Liquid Water

Aneesur Rahman, Frank H. Stillinger

The Journal of Chemical Physics 1971 10.1063/1.1676585

[12]

J. Chem. Phys. (1949) 10.1063/1.1747247

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Details

Published: Nov 15, 1998
Vol/Issue: 109(19)
Pages: 8463-8470

Authors

K

Kenji Yasuoka

Department of Applied Physics, School of Engineering, Nagoya University, Nagoya 464-01, Japan

M

Mitsuhiro Matsumoto

Department of Applied Physics, School of Engineering, Nagoya University, Nagoya 464-01, Japan

Cite This Article

Kenji Yasuoka, Mitsuhiro Matsumoto (1998). Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water. The Journal of Chemical Physics, 109(19), 8463-8470. https://doi.org/10.1063/1.477510

Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water

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