Effects of dissolved carboxylates and carbonates on the adsorption properties of thiuram disulfate pesticides
| dc.contributor.author | Stathi, P. | en |
| dc.contributor.author | Christoforidis, K. C. | en |
| dc.contributor.author | Tsipis, A. | en |
| dc.contributor.author | Hela, D. G. | en |
| dc.contributor.author | Deligiannakis, Y. | en |
| dc.date.accessioned | 2015-11-24T16:57:17Z | |
| dc.date.available | 2015-11-24T16:57:17Z | |
| dc.identifier.issn | 0013-936X | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/10563 | |
| dc.rights | Default Licence | - |
| dc.subject | clay-minerals | en |
| dc.subject | goethite | en |
| dc.subject | surfaces | en |
| dc.subject | sorption | en |
| dc.subject | parameters | en |
| dc.subject | mechanisms | en |
| dc.subject | exchange | en |
| dc.subject | selenate | en |
| dc.subject | sulfate | en |
| dc.subject | dioxide | en |
| dc.title | Effects of dissolved carboxylates and carbonates on the adsorption properties of thiuram disulfate pesticides | en |
| heal.abstract | The adsorption of thiram and disulfiram onto alpha-Al2O3 and montmorillonite clay has been studied in the presence of small carboxylate anions, bicarbonate, formate, and oxalate. At natural concentrations, HCO3- enhances dramatically the adsorption of both pesticides on alpha-Al2O3 and clay. An analogous significant enhancement of pesticide adsorption is also observed in the presence of formate and oxalate. Density functional theory calculations demonstrate that in solution a stable molecular complex between one molecule of thiram and one molecule of HCO3- is formed with interaction energy -35.6 kcal/mol. In addition, two H2O molecules further stabilize it by an interaction energy of -3.6 kcal/mol. This clustering [thiram-HCO3--2H(2)O] leads to a change of the electronic structure and the ultraviolet-visible spectrum of thiram that is observed experimentally. Surface complexation modeling shows that the molecular cluster [thiram-HCO3-2H(2)O], which bears a total net charge of -1, is responsible for the observed enhanced adsorption on the charged surface of alumina and clay at pH below their points of zero surface charge. The results reveal a novel pervasive role of carboxylate anions and particularly HCO3- on the adsorption of dithiocarbamate pesticides in natural waters. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | Doi 10.1021/Es051451s | - |
| heal.identifier.secondary | <Go to ISI>://000234421400039 | - |
| heal.identifier.secondary | http://pubs.acs.org/doi/pdfplus/10.1021/es051451s | - |
| heal.journalName | Environ Sci Technol | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2006 | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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