Reactive dye adsorption and recovery using a PVA/TiO2 film containing Saccharum spontaneum flower-fibre cellulose: kinetic model discrimination beyond pseudo-second-order

Reactive dyes are difficult to remove from textile effluent, and adsorbents made from discarded plant fibres offer a low-cost option. Cellulose microcrystals were isolated from the flower fibre ofSaccharum spontaneum (catkin) and incorporated with TiO2 nanoparticles into a citric acid-crosslinked poly(vinyl alcohol) film prepared by solution casting. The film was characterized by FTIR, XRD, particle size analysis, FE-SEM with EDX, DSC, swelling, tensile and color measurements. In batch tests with the anionic reactive dye Avitera Light Red SE, 0.5 g of film in 50 mL removed 37 to 41 % of the dye at 20 to 60 mg L−1 after 170 min. The kinetic and equilibrium data were analyzed by nonlinear model discrimination over eleven rate laws and three isotherms, with leave-oneout validation and propagation of calibration uncertainty. Fast initial uptake followed by slow intraparticle diffusion described the kinetics best (Akaike weight 0.77), and pseudo-second-order kinetics received little support once the definitional origin point was excluded from the fit. Equilibrium uptake followed a near-linear Freundlich isotherm (1/n = 1.21, 95 % profile interval 1.06 to 1.38) with no saturation in the tested range. A preregistered simulation of 95,000 synthetic kinetic experiments showed that the eight-point sampling design identifies single-rate laws reliably but cannot fix the form of a slow second phase, and that a physics-informed neural network did not improve on the classical description at this data density. Adsorbed dye was released by heating the film in water at 80 °C, and the film could be reused.

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Publication Details

Journal
ChemRxiv
Published
2026-10-27
DOI
https://doi.org/10.26434/chemrxiv.15011158/v1
Primary Topic
Adsorption and biosorption for pollutant removal
Type
preprint
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preprint

Reactive dye adsorption and recovery using a PVA/TiO2 film containing Saccharum spontaneum flower-fibre cellulose: kinetic model discrimination beyond pseudo-second-order

Niger Sultana, Kazi Sirajul Islam, Sk. Mainuddin, Ashraful Alam Aulia et al.
ChemRxiv
Adsorption and biosorption for pollutant removal
preprint

Reactive dye adsorption and recovery using a PVA/TiO2 film containing Saccharum spontaneum flower-fibre cellulose: kinetic model discrimination beyond pseudo-second-order

Niger Sultana, Kazi Sirajul Islam, Sk. Mainuddin, Ashraful Alam Aulia, Mahmudul Hasan, Md Shajjad Khan Faisal, Mohammad Forhad Hossain, Tinon Turja Majumder
preprint en

Abstract

Reactive dyes are difficult to remove from textile effluent, and adsorbents made from discarded plant fibres offer a low-cost option. Cellulose microcrystals were isolated from the flower fibre ofSaccharum spontaneum (catkin) and incorporated with TiO2 nanoparticles into a citric acid-crosslinked poly(vinyl alcohol) film prepared by solution casting. The film was characterized by FTIR, XRD, particle size analysis, FE-SEM with EDX, DSC, swelling, tensile and color measurements. In batch tests with the anionic reactive dye Avitera Light Red SE, 0.5 g of film in 50 mL removed 37 to 41 % of the dye at 20 to 60 mg L−1 after 170 min. The kinetic and equilibrium data were analyzed by nonlinear model discrimination over eleven rate laws and three isotherms, with leave-oneout validation and propagation of calibration uncertainty. Fast initial uptake followed by slow intraparticle diffusion described the kinetics best (Akaike weight 0.77), and pseudo-second-order kinetics received little support once the definitional origin point was excluded from the fit. Equilibrium uptake followed a near-linear Freundlich isotherm (1/n = 1.21, 95 % profile interval 1.06 to 1.38) with no saturation in the tested range. A preregistered simulation of 95,000 synthetic kinetic experiments showed that the eight-point sampling design identifies single-rate laws reliably but cannot fix the form of a slow second phase, and that a physics-informed neural network did not improve on the classical description at this data density. Adsorbed dye was released by heating the film in water at 80 °C, and the film could be reused.

ChemRxiv
University of Dhaka (BD), Bangladesh University of Textiles (BD)
Adsorption and biosorption for pollutant removal
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