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<p> The textile industry, despite its economic importance, significantly contributes to environmental pollution, particularly by contaminating water resources, disrupting ecosystems. This study introduces an alternative method for removing the dye C.I. Acid Red 114 using molecularly imprinted polymers (MIP), a selective and smart material. Density Functional Theory (DFT) insights revealed that the interaction of C.I. Acid Red 114 with acrylamide occurs primarily by the oxygen from SO<sub>3</sub><sup>-</sup>groups and hydrogen from NH<sub>2</sub>, which is favored by protonation, as occurs on harsh aqueous environments such as textile wastewater. Several factors influencing dye removal were investigated, including pH, concentration, contact time, and adsorbent mass. A non-imprinted polymer (NIP) was synthesized as a control to assess MIP efficiency. Both polymers were characterized and tested to evaluate MIP performance as a potential solution for pollutant removal in the textile industry. The dye exhibited a linear detection range of 2 to 12 mg·L<sup>-1</sup>, with a detection limit of 0.60 mg·L<sup>-1</sup>. Adsorption tests demonstrated that the MIP outperformed the NIP, following a first-order kinetic model. The Freundlich model best described the adsorption process (AICc = 3.492). Additionally, the MIP showed approximately 80% selectivity for C.I. Acid Red 114, confirming its effectiveness as an adsorbent for textile wastewater treatment. MIP recovery rates ranged from 91.2% to 97.5% in HPLC analysis of three different river water samples.</p>

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Simulation, Synthesis and Characterization of a Smart Polymer for Selective Adsorption of Acid Red 114 Dye from Aqueous Solutions

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年2月2日

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  • Levi Damasceno Bessa,
  • Joalis Barbalho de Souza,
  • Júlia Paula Lima de Araújo,
  • Olga Gabriela Santos de Araújo,
  • Karla Furtado Andriani,
  • Maria Del Pilar Taboada Sotomayor,
  • Sabir khan

摘要

The textile industry, despite its economic importance, significantly contributes to environmental pollution, particularly by contaminating water resources, disrupting ecosystems. This study introduces an alternative method for removing the dye C.I. Acid Red 114 using molecularly imprinted polymers (MIP), a selective and smart material. Density Functional Theory (DFT) insights revealed that the interaction of C.I. Acid Red 114 with acrylamide occurs primarily by the oxygen from SO3-groups and hydrogen from NH2, which is favored by protonation, as occurs on harsh aqueous environments such as textile wastewater. Several factors influencing dye removal were investigated, including pH, concentration, contact time, and adsorbent mass. A non-imprinted polymer (NIP) was synthesized as a control to assess MIP efficiency. Both polymers were characterized and tested to evaluate MIP performance as a potential solution for pollutant removal in the textile industry. The dye exhibited a linear detection range of 2 to 12 mg·L-1, with a detection limit of 0.60 mg·L-1. Adsorption tests demonstrated that the MIP outperformed the NIP, following a first-order kinetic model. The Freundlich model best described the adsorption process (AICc = 3.492). Additionally, the MIP showed approximately 80% selectivity for C.I. Acid Red 114, confirming its effectiveness as an adsorbent for textile wastewater treatment. MIP recovery rates ranged from 91.2% to 97.5% in HPLC analysis of three different river water samples.