Development of methacrylamide/methylmethacrylate copolymer modified biomass-carbon for superior Congo red adsorption: Leveraging RSM and machine learning for optimization and mechanistic insights

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL
Mosaab A. Elbager , Mohammad Al-Suwaiyan , Tawfik A. Saleh , Qusai M. Karrar , Nadir M.A. Osman , Maimuna U. Zarewa
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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.

Abstract Image

开发具有优异刚果红吸附性能的甲基丙烯酰胺/甲基丙烯酸甲酯共聚物改性生物质碳:利用RSM和机器学习进行优化和机理研究
以阿拉伯枣椰叶为原料,经甲基丙烯酰胺(MAAm)和甲基丙烯酸甲酯(MMA)共聚物改性,制备了一种新型吸附复合材料PMMGCF,增强了刚果红(CR)的水中脱色性能。利用BET、TGA、XRD、FTIR、SEM和zeta电位分析对聚合物进行了结构和表面表征,证实了聚合物改性显著提高了孔隙度、热稳定性和表面反应性。PMMGCF的最大吸附量为411.71 mg/g,优于未改性的绿色碳纤维(GCF)。采用中心复合设计(CCD)的响应面法(RSM)确定了溶液pH、吸附剂投加量和CR初始浓度为显著参数,简化二次模型的R2为0.9755。动力学分析表明,化学吸附驱动摄取符合Elovich和伪二阶模型(R2 = 0.9899和0.983)。Langmuir等温线拟合最佳(R2 = 0.973),表明为单层吸附。热力学分析表明,该反应为自发的吸热反应(ΔH°= 34.58 kJ/mol; ΔG°=−5.11 kJ/mol,温度为318 K)。此外,机器学习模型被用于预测吸附容量,其中高斯过程回归达到了最高的精度(R2 = 0.96; RMSE = 0.06),证明了数据驱动方法在吸附系统优化中的潜力。这些发现表明PMMGCF是一种高容量、可扩展的吸附剂,适用于工业废水处理。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
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.
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