Groundnut shell is an agricultural waste material that was employed in the pyrolysis process to produce activated carbon using ferric chloride activation (Fe@GNS-AC) (T = 500–700 °C; N₂ = 120 cm³/min). Fe@GNS-AC was conducted to remove glyphosate from aqueous solution through batch adsorption technique. The physiochemical properties of adsorbent was investigated following methods such as BET_surface, X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy dispersive X-ray analysis (EDS), X-ray photoelectron spectroscopy (XPS), Boehm’s titration, Point zero charge (pH_ZPC), total pore volume, and Fourier transform infrared spectroscopy (FT-IR). The maximum glyphosate adsorption capacity of 267.91 mg.g⁻¹ was achieved by the remaining parameters, namely, pH 4.6, initial adsorbate concentration (30 mg/L), contact time (60 min), and adsorbent dose (0.5 g). The equilibrium was ascribed using Langmuir, Freundlich, and Sips isotherms, where Sips and Freundlich model fits better (R² > 0.9) to equilibrium data. The kinetics models were well described with the pseudo-second-order kinetic and film diffusion mechanisms (R² > 0.9). The thermodynamic parameter for adsorption was exothermic and spontaneous in chemisorption mechanism (ΔH = − 29.416 kJ/mol; ΔG = − 13.838 to − 10.345 kJ/mol, T = 303-353 K). The DFT calculation was employed to understand the density of state (DOS), electrophilicity index (ω), chemical potential (μ), and chemical hardness (η) of the surface complexion in fermi level, and the mechanism suggested that chemisorption phenomenon is dominated by electronic interferences with Mullikan atomic charge transfer. Finally, exhausted adsorbent was examined by desorption mechanism and sodium chloride performed high eluting agent at fourth time cyclic process (80.39%). This study provides information Fe@GNS-AC synthesis, and removal of glyphosate. It may also benefit the separation of agricultural water or industrial wastewater treatment.

_{花生壳是一种农业废料，在热解过程中使用氯化铁活化 (Fe@GNS-AC) (T = 500–700 °C; N 2}  = 120 cm ³ /min)生产活性炭。Fe@GNS-AC通过批量吸附技术从水溶液中去除草甘膦。采用BET_表面、X射线衍射(XRD)、场发射扫描电子显微镜(FESEM)、能量色散X射线分析(EDS)、X射线光电子能谱(XPS)、 Boehm 滴定法、零点电荷 (pH _ZPC )、总孔体积和傅里叶变换红外光谱 (FT-IR)。草甘膦最大吸附量 267.91 mg.g^-1是通过其余参数实现的，即 pH 4.6、初始吸附物浓度 (30 mg/L)、接触时间 (60 min) 和吸附剂剂量 (0.5 g)。使用 Langmuir、Freundlich 和 Sips 等温线归因于平衡，其中 Sips 和 Freundlich 模型更适合 (R ²  > 0.9) 平衡数据。动力学模型很好地描述了准二级动力学和膜扩散机制（R ² > 0.9)。吸附的热力学参数在化学吸附机制中是放热和自发的（ΔH = - 29.416 kJ/mol；ΔG = - 13.838 至 - 10.345 kJ/mol，T = 303-353 K）。采用DFT计算来了解费米能级表面络合的态密度（DOS）、亲电指数（ω）、化学势（μ）和化学硬度（η），其机理表明化学吸附现象占主导地位通过对 Mullikan 原子电荷转移的电子干扰。最后，通过解吸机理考察了耗尽的吸附剂，氯化钠在第四次循环过程中作为高洗脱剂（80.39%）。本研究提供了 Fe@GNS-AC 合成和草甘膦去除的信息。它还可能有利于农业用水或工业废水处理的分离。