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dc.contributor.authorCarter, Damien
dc.contributor.authorOgden, Mark
dc.contributor.authorRohl, Andrew
dc.date.accessioned2017-01-30T13:56:47Z
dc.date.available2017-01-30T13:56:47Z
dc.date.created2008-11-12T23:32:40Z
dc.date.issued2007
dc.identifier.citationCarter, Damien, J. and Ogden, Mark and Rohl, Andrew. 2007. Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies. Journal of Physical Cnemistry C 111: 9283-9289.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/36638
dc.identifier.doi10.1021/jp071177j
dc.description.abstract

Potassium sulfate crystals orient and overgrow 2-aminobenzenesulfonate (OSA), and many other sulfonated aromatic compounds, on particular facets during growth from solution. The energetics associated with adsorption of OSA and benzenesulfonate (BS) were calculated using both molecular mechanical and density functional methods, in order to assess the surface binding effectiveness of these compounds on various faces of potassium sulfate. It was found that both theoretical techniques predicted that OSA and BS bind to potassium sulfate to a similar extent. The surface binding capacities were also assessed experimentally by studying the growth rates of individual faces of K2SO4, with results showing similar findings to those from the computational studies.

dc.publisherAmerican Chemical Society
dc.relation.urihttp://pubs.acs.org/journals/jpccck/index.html
dc.titleMechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies
dc.typeJournal Article
dcterms.source.volume111
dcterms.source.startPage9283
dcterms.source.endPage9289
dcterms.source.titleJournal of Physical Cnemistry C
curtin.note

Open access to this article will be available 12 months after publication via the website of the American Chemical Society. http://acswebcontent.acs.org/home.html

curtin.note

The website for the Journal of Physical Chemistry C is available at:

curtin.note

http://pubs.acs.org/journals/jpccck/index.html

curtin.identifierEPR-2271
curtin.accessStatusFulltext not available
curtin.facultyDepartment of Applied Chemistry
curtin.facultyDivision of Engineering, Science and Computing
curtin.facultyFaculty of Science


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