Development of methacrylamide/methylmethacrylate copolymer modified biomass-carbon for superior Congo red adsorption: Leveraging RSM and machine learning for optimization and mechanistic insights
Mosaab A. Elbager , Mohammad Al-Suwaiyan , Tawfik A. Saleh , Qusai M. Karrar , Nadir M.A. Osman , Maimuna U. Zarewa
{"title":"Development of methacrylamide/methylmethacrylate copolymer modified biomass-carbon for superior Congo red adsorption: Leveraging RSM and machine learning for optimization and mechanistic insights","authors":"Mosaab A. Elbager , Mohammad Al-Suwaiyan , Tawfik A. Saleh , Qusai M. Karrar , Nadir M.A. Osman , Maimuna U. Zarewa","doi":"10.1016/j.molliq.2025.128594","DOIUrl":null,"url":null,"abstract":"<div><div>This study reports the synthesis and performance evaluation of a novel adsorbent composite, PMMGCF, developed from Arabian date palm leaves and modified with a methacrylamide (MAAm) and methyl methacrylate (MMA) copolymer for enhanced Congo Red (CR) dye removal from water. Structural and surface characterizations using BET, TGA, XRD, FTIR, SEM, and zeta potential analyses confirmed that polymer modification significantly increased porosity, thermal stability, and surface reactivity. The PMMGCF exhibited a maximum adsorption capacity of 411.71 mg/g, outperforming the unmodified green carbon fiber (GCF). Response Surface Methodology (RSM) with Central Composite Design (CCD) identified solution pH, adsorbent dosage, and initial CR concentration as significant parameters, with a reduced quadratic model achieving an R<sup>2</sup> of 0.9755. Kinetic analysis indicated chemisorption-driven uptake following the Elovich and pseudo-second-order models (R<sup>2</sup> = 0.9899 and 0.983). The Langmuir isotherm provided the best fit (R<sup>2</sup> = 0.973), indicating monolayer adsorption. Thermodynamic analysis revealed the process to be spontaneous and endothermic (ΔH° = 34.58 kJ/mol; ΔG° = −5.11 kJ/mol at 318 K). Additionally, machine learning models were employed to predict adsorption capacity, with the Gaussian Process Regressor achieving the highest accuracy (R<sup>2</sup> = 0.96; RMSE = 0.06), demonstrating the potential of data-driven approaches for adsorption system optimization. These findings establish PMMGCF as a high-capacity, scalable adsorbent suitable for industrial wastewater treatment applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128594"},"PeriodicalIF":5.2000,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225017714","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
This study reports the synthesis and performance evaluation of a novel adsorbent composite, PMMGCF, developed from Arabian date palm leaves and modified with a methacrylamide (MAAm) and methyl methacrylate (MMA) copolymer for enhanced Congo Red (CR) dye removal from water. Structural and surface characterizations using BET, TGA, XRD, FTIR, SEM, and zeta potential analyses confirmed that polymer modification significantly increased porosity, thermal stability, and surface reactivity. The PMMGCF exhibited a maximum adsorption capacity of 411.71 mg/g, outperforming the unmodified green carbon fiber (GCF). Response Surface Methodology (RSM) with Central Composite Design (CCD) identified solution pH, adsorbent dosage, and initial CR concentration as significant parameters, with a reduced quadratic model achieving an R2 of 0.9755. Kinetic analysis indicated chemisorption-driven uptake following the Elovich and pseudo-second-order models (R2 = 0.9899 and 0.983). The Langmuir isotherm provided the best fit (R2 = 0.973), indicating monolayer adsorption. Thermodynamic analysis revealed the process to be spontaneous and endothermic (ΔH° = 34.58 kJ/mol; ΔG° = −5.11 kJ/mol at 318 K). Additionally, machine learning models were employed to predict adsorption capacity, with the Gaussian Process Regressor achieving the highest accuracy (R2 = 0.96; RMSE = 0.06), demonstrating the potential of data-driven approaches for adsorption system optimization. These findings establish PMMGCF as a high-capacity, scalable adsorbent suitable for industrial wastewater treatment applications.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.