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A new lattice-based theory for hydrogen-bonding liquids in uniform electric fields
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10.1063/1.1868554
/content/aip/journal/jcp/122/13/10.1063/1.1868554
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/13/10.1063/1.1868554
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic of (a) H bonding between a proton donor (filled small circles) and proton acceptor sites (unfilled small circles), and (b) orientations of H bond and dipole moment with respect to electric field direction.

Image of FIG. 2.
FIG. 2.

Effect of temperature on dielectric constant of HCN liquid. (---) Theory , (—) theory , (∎) low-field experimental data from Ref. 16.

Image of FIG. 3.
FIG. 3.

Theoretical predictions for the effect of electric field on the angular distribution of bonding probabilities in HCN liquid at . (—) Curve 1, . (---) Curve 2, . (…..) Curve 3, . (-∙-) Curve 4, .

Image of FIG. 4.
FIG. 4.

Theoretical predictions for the effect of electric field on distribution of HCN molecules in different dipolar orientations. The different curves have the same meaning as the corresponding ones in Fig. 3.

Image of FIG. 5.
FIG. 5.

Theoretical predictions for the effect of electric field on the dielectric constant (—) and average number of H bonds per HCN molecule (---) at .

Image of FIG. 6.
FIG. 6.

Theoretical predictions for the effect of temperature on the distribution of HCN molecules in different dipolar orientations at an applied field strength of . (—) Curve 1, . (---) Curve 2, . (-∙-) Curve 3, .

Image of FIG. 7.
FIG. 7.

Theoretical predictions for the effect of temperature on the angular distribution of bonding probabilities. The different curves have the same meaning as the corresponding ones in Fig. 6.

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/content/aip/journal/jcp/122/13/10.1063/1.1868554
2005-04-04
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A new lattice-based theory for hydrogen-bonding liquids in uniform electric fields
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/13/10.1063/1.1868554
10.1063/1.1868554
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