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| Indexado |
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| DOI | 10.1039/C6CP00520A | ||||
| Año | 2016 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Molecular dynamics simulation of a nanoscale capillary water bridge between two planar substrates is used to determine the resulting force between the substrates without arbitrariness regarding geometry and location of the free surface of the bridge. The substrates are moderately hydrophilic. The force changes continuously as the separation between the substrates changes except for small gaps where it becomes discontinuous because the bridge is unable to adopt stable configurations at any distance apart. Further exploration of the bridge and the force as the substrates approach each other reveals an underlying oscillatory force with an increasing repulsive component at separation distances equivalent to few water molecules. According to the average number of hydrogen bonds per water molecule (HBN), at very small gap sizes, water molecules which are very close to the surfaces are unable to maximize HBN thus contributing to the repulsive force. Our simulation results of force versus gap size agree with calculations based on other methods, some very different, and also reproduce the typical magnitude of the experimental force. Finally, a macroscopic force balance correctly describes the force-distance curve except for bridges constituted of water layers only.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | VALENZUELA-GONZALEZ, GERSON ESTEBAN | Hombre |
Universidad de Concepción - Chile
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| 2 | SAAVEDRA-MOLINA, JORGE HERNAN | Hombre |
Universidad del Bío Bío - Chile
|
| 3 | ROZAS-SOTO, ROBERTO | Hombre |
Universidad del Bío Bío - Chile
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| 4 | TOLEDO-RAMIREZ, PEDRO GONZALO | Hombre |
Universidad de Concepción - Chile
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| Fuente |
|---|
| Universidad de Concepción |
| CONICYT-Chile |
| Comisión Nacional de Investigación Científica y Tecnológica |
| University of Concepción |
| Centro CRHIAM |
| Ministerio de Educacion, Gobierno de Chile |
| Ministerio de Educación, Gobierno de Chile |
| University of Concepci?n |
| Centro CRHIAM Project Conicyt/Fondap |
| Red Doctoral REDOC.CTA, MINEDUC Grant |
| Agradecimiento |
|---|
| GEV thanks the University of Concepcion and CONICYT-Chile for graduate student fellowships. We thank Red Doctoral REDOC.CTA, MINEDUC Grant UCO1202 and Centro CRHIAM Project Conicyt/Fondap-15130015 for their financial support. GEV and JHS thank Centro CRHIAM for a postdoctoral fellowship position. |
| GEV thanks the University of Concepción and CONICYT-Chile for graduate student fellowships. We thank Red Doctoral REDOC.CTA, MINEDUC Grant UCO1202 and Centro CRHIAM Project Conicyt/Fondap-15130015 for their financial support. GEV and JHS thank Centro CRHIAM for a postdoctoral fellowship position. |