Dual-charged, non-swelling amine/carboxyl functionalized Fe—Mn mixed oxide composite for simultaneous removal of anionic and cationic azo dyes: Experimental and DFT studies

Khan Afsar; Hong Ran; Chen Saisai; Liu Tingting; Kaya Savaş; Chen Weihua; Xu Dayong

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Dual-charged, non-swelling amine/carboxyl functionalized Fe—Mn mixed oxide composite for simultaneous removal of anionic and cationic azo dyes: Experimental and DFT studies

Updated：2026-05-14

- Dual-charged, non-swelling amine/carboxyl functionalized Fe—Mn mixed oxide composite for simultaneous removal of anionic and cationic azo dyes: Experimental and DFT studies
- Chinese Journal of Chemical Engineering Vol. 90, Issue 2, Pages: 214-231(2026)
- Affiliations：
  
  School of Chemical and Environmental Engineering, Anhui Polytechnic University, Wuhu 241000, China
  Sivas Cumhuriyet University, Faculty of Science, Department of Chemistry, 58140, Sivas, Turkey
  School of Chemistry and Environmental Science, Shangrao Normal University, Shangrao 334000, China
- Author bio：
  
  Corresponding authors. E-mail addresses: chenweihua419818@sina.com (W. Chen)
  Corresponding authors. E-mail addresses: xdy826@ahpu.edu.cn (D. Xu).
- Funds：
- DOI：
  CLC：
- Received：12 July 2025，
  
  Revised：2025-09-16，
  
  Accepted：17 September 2025，
  
  Online First：03 December 2025，
  
  Published：2026-02
- Accepted：
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Khan Afsar, Hong Ran, Chen Saisai, et al. Dual-charged, non-swelling amine/carboxyl functionalized Fe—Mn mixed oxide composite for simultaneous removal of anionic and cationic azo dyes: Experimental and DFT studies[J]. Chinese Journal of Chemical Engineering, 2026, 90(2): 214-231.
DOI：

Khan Afsar, Hong Ran, Chen Saisai, et al. Dual-charged, non-swelling amine/carboxyl functionalized Fe—Mn mixed oxide composite for simultaneous removal of anionic and cationic azo dyes: Experimental and DFT studies[J]. Chinese Journal of Chemical Engineering, 2026, 90(2): 214-231. DOI：

摘要

Abstract

Iron (Fe) and manganese (Mn) mixed oxide composites are widely recognized for their excellent adsorption performance in wastewater treatment. However

their functionalization for simultaneous removal of both anionic and cationic contaminants remains underexplored. In this study

Fe—Mn mixed oxides were functionalized with poly(acrylic acid) (PAA) and chitosan to introduce carboxylic and amine groups respectively

forming a dual-functionalized composite (PAA—chitosan—FeMn). The material was evaluated for the adsorption of Congo red

reactive blue 19

and methylene blue from aqueous solutions using batch and fixed-bed reactor systems. The composite was characterized before and after adsorption using X-ray photoelectron spectroscope (XPS)

atomic force microscope

scanning electron microscope

high-resolution transmission electron microscope

Fourier transform infrared spectroscope (FTIR)

thermal gravimetric analyzer

and Raman spectroscopy. A marked enhancement in adsorption capacity was observed for all target dyes. Mechanistic investigations using XPS

FTIR

and density functional theory (DFT) indicated that the adsorption process was predominantly governed by electrostatic interactions and hydrogen bonding involving carbon

nitrogen

and oxygen functional groups. XPS analysis further confirmed the active role of Fe and Mn ions in dye binding. Comprehensive studies on adsorption isotherms

kinetics

and thermodynamics were conducted under optimized conditions. The composite exhibited a specific surface area of 27.4 to 68.4 m

·g

-1

before and after dye adsorption and a point of zero charge of 6.5—6.8

facilitating effective adsorption of oppositely charged dyes at nearneutral pH. Batch adsorption experiments demonstrated maximum capacities of 95.0% to 99.7% for both dyes under optimal conditions (pH 8—10

298 K). The PAA—chitosan—FeMn composite demonstrated high adsorption capacity

excellent stability under acidic conditions

and strong selectivity

highlighting its potential for the effective and simultaneous removal of anionic and cationic azo dyes from wastewater.

关键词

Keywords

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