Çelik, Muhammed SafaAkkuş Çetinus, ŞenayYenidünya, Ali FazılÇetinkaya, SerapTüzün, Burak2024-03-042024-03-042023https://hdl.handle.net/20.500.12418/14553Water-soluble basic rhodamine B (RhB) was adsorbed onto fruit powders of Rhus coriaria L. (Anacar- diaceae), sumac in batch reactions. Adsorption was optimized by employing concentration, pH, and time parameters. Experimental data were in accordance with the Freundlich isotherm, adsorption obeyed the pseudo-second-order kinetics, and thermodynamic parameters indicated that adsorption was exothermic, spontaneous, and chemical. Results were also evaluated by theoretical means: lowest Unoccupied Molec- ular Orbitals (LUMO), and the Highest Occupied Molecular Orbitals (HOMO). The HOMO energy values of the rhodamine B molecule had the highest activity with -3.3729 at the B3LYP level, -6.0361 at the HF level, and -4.3299 at the M062X level. In the calculations made, it was seen that the rhodamine B molecule has more electron density on the oxygen molecules. Taken together, the findings suggested that the dried fruit of the Rhus coriaria L. could be a useful biosorbent for the removal of dyes from aqueous media.en10.1016/j.molstruc.2022.134158info:eu-repo/semantics/openAccessBiosorptionDFTRhodamine BRhus coriaria L. ( Anacardiaceae )Article12721012-s2.0-85138456393N/AWOS:000863961100002Q2