6533b870fe1ef96bd12d0404
RESEARCH PRODUCT
Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters
Abdelmajid RegtiMohammadine El HaddadHicham Ben El AyouchiaSalah Eddine StiribaHafid AnaneMy Rachid Laamarisubject
Inorganic chemistryCationic polymerizationGeneral Physics and Astronomy02 engineering and technologySurfaces and InterfacesGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciences0104 chemical sciencesSurfaces Coatings and Filmschemistry.chemical_compoundAdsorptionchemistryElectrophilemedicineFreundlich equationReactivity (chemistry)Binary system0210 nano-technologyMethylene blueActivated carbonmedicine.drugdescription
Abstract The adsorption of cationic dyes, Basic Yellow (BY28) and Methylene Blue (MB) on a new activated carbon from medlar species were studied in both single and binary system. Some experimental parameters, namely, pH, amount of adsorbent and contact time are studied. Quantum chemical results indicate that the adsorption efficiency was directly related to the dye electrophilicity power. Some theorical parameters were calculated and proved that MB is more electrophilic than BY28, than greatest interaction with surface sites. Kinetic study showed that the adsorption follows the pseudo-second-order model and Freundlich was the best model to describe the phenomenon in the single and binary system. According to the local reactivity results using Parr functions, the sulphur and nitrogen atoms will be the main adsorption sites.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-12-01 | Applied Surface Science |