Equilibrium and DFT modeling studies for the biosorption of Safranin O dye from water samples using Bacillus subtilis biosorbent
Date
2023Author
Çetinkaya, SerapKaya,Savaş
Aksu, Aysun
Çetintaş, Halil İbrahim
Jalbani, Nida Shams
Erkan Sultan
Marzouki, Riadh
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Show full item recordAbstract
Current study deals with the biosorption of Safranin O dye from water by using high potential Bacil-
lus subtilis biosorbent material. The presence of functional groups and surface morphology of biosor-
bent was analyzed by using sophisticated analytical techniques such as FT-IR (Fouirer Transform Infrared
Spectrophotometer), SEM (Scanning Electron Microscopy), EDX (Energy Dispersive X-Ray Analysis), and
TGA (Thermogravimetric Analysis). To check the dye removal potential of Bacillus subtilis sorbent, batch
adsorption experiments were performed under the optimized conditions. The biosorption experiments
showed that the Bacillus subtilis sorbents remove 80% of safranin O dye from water. The biosorption
mechanism is depends upon the solution pH thus the maximum biosorption was observed at (5.5–6.5).
Moreover, the biosorbent dose has been optimized and it has observed that the maximum concentra-
tion of safranin O dye has been removed using the 50 mg.L −1 of Bacillus subtilis . The biosorption equi-
librium data were well fitted by the Langmuir adsorption isotherm due to good regression coefficient
value ( R 2
= 0.98) and better Langmuir capacity (0.383 mmol.g −1 ), while the kinetic studies indicated that
the biosorption followed the pseudo-second-order model. The thermodynamic parameters values showed
that the biosorption is process is endothermic and spontaneous nature. In addition, molecular docking
was also performed to examine the interaction between the safranin O dye molecule and the Bacillus
subtilis bacterial cell line.