Design of Two-step Isotherms for Enhancement Sorption Efficiency of C-type Fly Ash for Acid and Basic Dyes and Prediction of their Chemical Reactivities using DFT Calculations


Kurtoğlu A. E., Ortaboy Sezer S., Acar E., Tüzün E., Atun G.

WATER AIR AND SOIL POLLUTION, cilt.236, sa.14, 2025 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 236 Sayı: 14
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1007/s11270-025-08574-y
  • Dergi Adı: WATER AIR AND SOIL POLLUTION
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, ABI/INFORM, Artic & Antarctic Regions, BIOSIS, Chemical Abstracts Core, Chimica, Compendex, EMBASE, Environment Index, Geobase, Greenfile
  • İstanbul Üniversitesi-Cerrahpaşa Adresli: Evet

Özet

The process parameters have been adjusted to obtain two-step isotherm profile for increment sorptive removal efficiency of natural calcium-rich (C-type) fly ash for dyes from water. Sorption of the anionic acid-dye Brillant-Blue N-GL and cationic basic-dye Methylene-Blue onto calcium-rich fly-ash is examined via batch-method. The sorbent properties are characterized by X-ray-diffraction, diffuse-reflectance-infrared-Fourier-transform spectroscopy, atomic-force and scanning-electron microscopy techniques. The predicted molecular chemical reactivity of the dye molecules based on density-functional-theory was well correlated with the sorption results. The Langmuir capacity for Brillant-Blue N-GL increases nearly four times in the second step of isotherm with an enhancement from 0.242 to 1.500 mmol/g. Amount of the dye removed at 318 K is higher than the weight of the sorbent itself (1.26 g/g) which surpasses all modified sorbents reported for acid-dye removal. The capacities for both acid and basic-dyes increase nearly 6 times in the second step at 298 K. The curves calculated from the Liu isotherm model fit both the L-shaped first-step and the S-shaped second-step of isotherms. The diffusion-coefficients calculated using the homogeneous-surface-diffusion model are 8.0 and 13.0 x 10(-13) m(2) s(-1) for Brillant-Blue N-GL and Methylene-Blue respectively. They are higher than those of the two-resistance-diffusion model in similar to 10(-14) m(2) s(-1) magnitude.