DOI: 10.1063/1.1676557. Surface Thermodynamic Functions for NaCl

Surface Thermodynamic Functions for NaCl

10.1063/1.1676557

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The surface entropy and surface specific heat at constant volume, and the vibrational contributions to the surface energy and surface Helmholtz free energy have been calculated as functions of temperature for the (100) surface of NaCl. To our knowledge, these are the first calculations of surface thermodynamic functions for an ionic crystal to be based on a realistic lattice-dynamical determination of the vibrational frequencies, rather than on the use of a continuum model, Einstein model, or unrealistically simple lattice model. The main approximations in the present treatment are the harmonic approximation and the neglect of the polarizabilities of the ions (i.e., the use of a rigid-ion model). Comparison is made between the present theoretical results and the experimental results for the excess heat capacity of finely divided NaCl. At low temperatures, the present results are in good agreement with the recent data of Barkman et al. The position of the peak in the surface specific heat is in good agreement with the data of Morrison and Patterson; a discrepancy of about 40% in the height of the peak may be due to experimental uncertainties in determining specific surface areas.

Bibliography

Chen, T. S., Alldredge, G. P., de Wette, F. W., & Allen, R. E. (1971). Surface Thermodynamic Functions for NaCl. The Journal of Chemical Physics, 55(7), 3121â3126.

Authors 4

T. S. Chen (first)
G. P. Alldredge (additional)
F. W. de Wette (additional)
R. E. Allen (additional)

References 33 Referenced 32

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{'key': '2024020908084814400_r2', 'first-page': '1', 'volume': '19', 'year': '1966', 'journal-title': 'Solid State Phys.'} / Solid State Phys. (1966)
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{'key': '2024020908084814400_r8a'}
10.1016/0022-3697(69)90359-X / J. Phys. Chem. Solids (1969)
10.1103/PhysRev.148.945 / Phys. Rev. (1966)
10.1139/v55-027 / Can. J. Chem. (1955)
10.1039/tf9565200764 / Trans. Faraday Soc. (1956)
10.1063/1.1671873 / J. Chem. Phys. (1969)
{'key': '2024020908084814400_r12a'}
10.1103/PhysRev.181.1318 / Phys. Rev. (1969)
{'key': '2024020908084814400_r14'}
{'key': '2024020908084814400_r15', 'first-page': '513', 'volume': 'A238', 'year': '1940', 'journal-title': 'Phil. Trans. Roy. Soc. London'} / Phil. Trans. Roy. Soc. London (1940)
10.1016/0038-1098(70)90229-2 / Solid State Commun. (1970)
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10.1103/PhysRevLett.26.1543 / Phys. Rev. Letters (1971)
10.1103/PhysRev.140.A2076 / Phys. Rev. (1965)
{'key': '2024020908084814400_r20'}
{'key': '2024020908084814400_r21'}
{'key': '2024020908084814400_r22'}
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{'key': '2024020908084814400_r27', 'first-page': '62', 'volume': 'A279', 'year': '1964', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1964)
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10.1175/1520-0469(1959)016<0244:SEOWVA>2.0.CO;2 / J. Meteorol. (1959)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 4, 2004, 5:07 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 3:59 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 12:28 a.m.)
Issued	53 years, 10 months ago (Oct. 1, 1971)
Published	53 years, 10 months ago (Oct. 1, 1971)
Published Print	53 years, 10 months ago (Oct. 1, 1971)

Funders 0

None

BibTeX

@article{Chen_1971, title={Surface Thermodynamic Functions for NaCl}, volume={55}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1676557}, DOI={10.1063/1.1676557}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Chen, T. S. and Alldredge, G. P. and de Wette, F. W. and Allen, R. E.}, year={1971}, month=oct, pages={3121–3126} }

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