Use of Cedrela odorata L. as a Biomaterial for Dye Adsorption in Wastewater: Simulation and Machine Learning Approaches for Scale-Up Analysis

Methylene blue and safranin are dyes that may have harmful effects on both aquatic ecosystems and human health. This research aims to simulate an industrial-scale operational adsorption column for competitively removing these dyes from wastewater, employing Cedrela odorata L. as a bioadsorbent material. Aspen Adsorption (v.1) software simulated an industrial-scale packed-bed adsorption column under various configurations. Moreover, machine learning algorithms were applied to predict the results generated by Aspen, representing an advancement in the development of new strategies in this field. The kinetic model employed was the Linear Driving Force (LDF) model. Adsorption efficiencies of 96.1% were achieved for both methylene blue and safranin using the Langmuir–LDF model. The Freundlich–LDF model showed efficiencies of 94.8% for methylene blue and 96% for safranin. Meanwhile, the Langmuir–Freundlich–LDF model achieved up to 96.1% for methylene blue and 94.8% for safranin. This study demonstrated the feasibility of simulating the competitive adsorption of dyes in solution at an industrial scale using Cedrela odorata L. as a bioadsorbent. The application of LDF kinetic models and adsorption isotherms (Langmuir, Freundlich, and Langmuir–Freundlich) resulted in high adsorption efficiencies, highlighting the potential of this approach for the remediation of dye-contaminated effluents as a viable method for predicting the performance of full-scale packed columns. Machine learning algorithms were implemented in this research, obtaining R2 higher than 0.996 for validation and testing stages for the responses of the model.