Experimental and Computational Studies of Nitric Acid Treated Natural Sargassum Algae for Efficient Removal of Crystal-Violet Dye

Abstract

In this work, crystal-violet (CV) dye was removed using a chemical carbonization process to create carbonized sargassum algae (CSA), which poses less environmental danger. The produced CSA is examined using a scanning electron microscope and a Fourier-Transform Infrared spectrometer. The following parameters were measured: pH, contact duration, temperature, adsorbent concentration, and starting CV dye concentration. The highest removal % was recorded as 91.17%. at pH 7, 3 hours, 25 °C, 0.01 g of adsorbent dosage, and 100 mg/L initial dye concentration. The kinetic testing indicated that pseudo-second-order was the most effective kinetic model for CV adsorption. According to the isotherms for the adsorption of CV dye, the Langmuir constant (K) was used to measure thermodynamic properties like free enthalpy (H), entropy (S), and energy (G). The Freundlich model, followed by Temkin models, best described the data. The earlier research is supported by computational studies like molecular dynamics (MD) simulation and Monte Carlo (MC) simulation.