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Mechanistic Insights into Phenol Adsorption and Mass Transport on Multi-Walled Carbon Nanotubes
* 1, 2, 3 , 2, 3
1  Institute of Mathematics, Federal University of Alagoas, Maceió 57072-970, AL, Brazil
2  Postgraduate Program in Chemical Engineering, Federal University of Alagoas, Maceió 57072-970, AL, Brazil
3  Catalysis and Chemical Reactivity Group (GCAR), Chemistry Department, Federal University of Alagoas, Maceió 57072-970, AL, Brazil
Academic Editor: Milena Horvat

Abstract:

Phenol remediation from contaminated effluents presents a critical industrial challenge due to its acute toxicity even at trace concentrations [1-3]. Multi-walled carbon nanotubes (MWCNTs) are promising adsorbents for this purpose, given their high adsorption capacity and ease of separation [4]. This work presents a phenomenological and numerical analysis of mass transport coupled to phenol adsorption on MWCNTs (dext = 50 nm) parameterized with published experimental equilibrium data under neutral pH conditions at 298 K [1,4, 5]. The mathematical model incorporates effective pore diffusivity (De = 4.82 × 10⁻¹⁰ m²/s) derived from pore structure parameters and describes three distinct scenarios: (1) pure physical adsorption via modified Fick's Second Law, (2) kinetics incorporating 0.5-order reaction kinetics, and (3) parametric analysis of particle size (1–100 nm) and concentration sensitivity (1–5 mg/L). Numerical solutions establish a Thiele modulus of ϕ ≪ 1 across the tested range, indicating kinetically controlled mass transfer with effectiveness factor η = 1.0, and validate the theoretical dependence ϕ ∝ Cs⁻⁰·²⁵. During effluent polishing operations (reduction from 5 to 1 mg/L), relative diffusive resistance increases by 49.5%, necessitating proportional increases in contact time or adsorbent dosage. The nanoscale architecture of MWCNTs reduces diffusional limitations by approximately 10⁶ compared to macroscopic granular adsorbents, enabling significantly reduced contact times. This phenomenological analysis provides fundamental mass transport insights for optimizing phenol remediation systems using nano-adsorbents.

References:

[1] https://doi.org/10.1007/s11356-018-3450-8

[2] https://doi.org/10.2166/wst.2021.433

[3] https://doi.org/10.5132/eec.2015.01.05

[4] https://doi.org/10.1016/j.jare.2014.06.001

[5] https://doi.org/10.1021/jp1107075

Keywords: Nanoremediation ; Aromatic pollutants ; Wastewater treatment; Intraparticle diffusion; Carbon nanomaterials
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