| The role of hydrogen bonding in nanocolloidal amorphous silica particles in electrolyte solutions. | |
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MedLine Citation:
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PMID: 19709668 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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Explicit solvent (water) molecular dynamics simulations were undertaken containing three pairs of amorphous silica nanoparticles, having diameters of 2.0nm, 2.4nm and 2.8nm, respectively. Mean forces acting between the silica nanoparticles were calculated in a background electrolyte, i.e., NaCl at four different concentrations. Dependence of the inter-particle potential of mean force on the center of mass separation, silicon to sodium ratio (Si:Na(+)), background electrolyte concentration, number of hydrogen bonds directly linking pairs of silica nanoparticles and the density of charged surface sites, are calculated. The pH was indirectly accounted for via the ratio of silicon to sodium used in the simulations. The close relationship between the variation of the number of hydrogen bonds between the pairs of silica nanoparticles and the inter-particle potential of mean force indicates that the degree of inter-particle hydrogen bonding quantifies, for a given size of nanoparticle, the degree of nanoparticle 'stickiness'. Simulations also show that the number of hydrogen bonds between the charged surface (O(-)) sites and the surrounding water molecules increases with increase in charged sites, in agreement with the interaction behavior of silica nanoparticles usually seen in experiments. |
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Authors:
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S Jenkins; S R Kirk; M Persson; J Carlen; Z Abbas |
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Publication Detail:
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Type: Journal Article Date: 2009-08-04 |
Journal Detail:
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Title: Journal of colloid and interface science Volume: 339 ISSN: 1095-7103 ISO Abbreviation: J Colloid Interface Sci Publication Date: 2009 Nov |
Date Detail:
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Created Date: 2009-10-02 Completed Date: 2010-01-27 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0043125 Medline TA: J Colloid Interface Sci Country: United States |
Other Details:
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Languages: eng Pagination: 351-61 Citation Subset: - |
Affiliation:
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Dept. of Technology, Mathematics and CS, University West, P.O. Box 957, SE 461 86 Trollh??ttan, Sweden. samantha.jenkins@hv.se |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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