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THE STATIC DIELECTRIC-CONSTANT OF WATER AT PRESSURES UP TO 20 KBAR AND TEMPERATURES TO 1273-K - EXPERIMENT, SIMULATIONS, AND EMPIRICAL EQUATIONS

Abstract:

The static dielectric constant of water was calculated by molecular dynamics simulations using the SPC/E water model up to 1273 K and pressures to 20 kbar. Simulations within the pressure-temperature range (up to 5 kbar and 823 K) of the available experimental data yield dielectric constant (ε) in very good agreement with experiment (within 5%) for all values of density ≤ 1.0 g/cm3. This demonstrates that the SPC/E model provides a valid means of obtaining the dielectric constant beyond the P...

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Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Earth Sciences
Role:
Author
Journal:
GEOCHIMICA ET COSMOCHIMICA ACTA
Volume:
59
Issue:
1
Pages:
1-6
Publication date:
1995-01-05
DOI:
ISSN:
0016-7037
URN:
uuid:b04db21f-ee5e-4435-b71b-61799bf26690
Source identifiers:
163836
Local pid:
pubs:163836

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