Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies
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...
| Main Authors: | , , |
|---|---|
| Format: | Journal Article |
| Published: |
American Chemical Society
2007
|
| Online Access: | http://pubs.acs.org/journals/jpccck/index.html http://hdl.handle.net/20.500.11937/36638 |
| _version_ | 1848754826181083136 |
|---|---|
| author | Carter, Damien Ogden, Mark Rohl, Andrew |
| author_facet | Carter, Damien Ogden, Mark Rohl, Andrew |
| author_sort | Carter, Damien |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T08:46:34Z |
| format | Journal Article |
| id | curtin-20.500.11937-36638 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:46:34Z |
| publishDate | 2007 |
| publisher | American Chemical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-366382017-09-13T15:52:27Z Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies Carter, Damien Ogden, Mark Rohl, Andrew 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. 2007 Journal Article http://hdl.handle.net/20.500.11937/36638 10.1021/jp071177j http://pubs.acs.org/journals/jpccck/index.html American Chemical Society restricted |
| spellingShingle | Carter, Damien Ogden, Mark Rohl, Andrew Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title | Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title_full | Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title_fullStr | Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title_full_unstemmed | Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title_short | Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies |
| title_sort | mechanisms of dye incorporation into potassium sulfate: computational and experimental studies |
| url | http://pubs.acs.org/journals/jpccck/index.html http://hdl.handle.net/20.500.11937/36638 |