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Computational analysis of ionic polymer cluster energetics
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10.1063/1.1819974
/content/aip/journal/jap/97/1/10.1063/1.1819974
http://aip.metastore.ingenta.com/content/aip/journal/jap/97/1/10.1063/1.1819974

Figures

Image of FIG. 1.
FIG. 1.

Identification of the region of study (a single cluster) as it relates to an IPMC.

Image of FIG. 2.
FIG. 2.

Outward cation movement has the same effect as outward anion movement. Inward cation movement has no cluster surface effect.

Image of FIG. 3.
FIG. 3.

(a) An ion pair, with an outer cation. (b) An unpaired anion and cation, with an outer cation. (c) An unpaired anion and cation. (d) An ion pair.

Image of FIG. 4.
FIG. 4.

Variation of cluster surface tension. (a) The predicted number of ion pairs and outer cations . (b) The predicted average cluster radius.

Image of FIG. 5.
FIG. 5.

Ion position perturbation. (a) The predicted number of ion pairs and outer cations . Zero pairs and zero outer cations are predicted for uniform anion and cation-initialized state. (b) The predicted average cluster radius. corresponds to the prediction for uniform anion and cation-initialized state.

Image of FIG. 6.
FIG. 6.

Initialized cluster radius. (a) The predicted number of ion pairs and outer cations . (b) The predicted average cluster radius.

Tables

Generic image for table
Table I.

Input parameters, symbols, and values.

Generic image for table
Table II.

Variations in predicted cluster response due to step size (averages over 10 random distributions).

Generic image for table
Table III.

Identification of an alternate cluster surface-tension constant (averages over 10 random distributions, reported for Equilibrium 1).

Generic image for table
Table IV.

Statistical validity: Comparing the predictions for 10 random samples to those of 1000 random samples for three different cluster surface-tension constants.

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/content/aip/journal/jap/97/1/10.1063/1.1819974
2004-12-16
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Computational analysis of ionic polymer cluster energetics
http://aip.metastore.ingenta.com/content/aip/journal/jap/97/1/10.1063/1.1819974
10.1063/1.1819974
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