Atenolol (ATN) is a β-blocker drug extensively used to treat arrhythmias and high blood pressure. Because the human body cannot metabolize it completely, this drug has been commonly found in many environmental matrices. In the present study, the response surface method (RSM) was used for adsorption prediction of ATN on modified multiwalled carbon nanotubes (M-MWCNTs) by NaOCl and ultrasonic. The sensitivity analysis was done by the Monte Carlo method. Sensitivity analysis was performed to determine the effective parameter by the Monte Carlo simulator. Statistical analysis of variance (ANOVA) was performed by using the nonlinear second-order model of RSM. The influential parameters including contact time (min), adsorbent dosage (g/L), pH, and the initial concentration (mg/L) of ATN were investigated, and optimal conditions were determined. Kinetic of ATN adsorption on M-MWCNTs was evaluated using pseudo-first, pseudo-second-order, and intraparticle diffusion models. Equilibrium isotherms for this system were analyzed by the ISOFIT software. As per our result, optimum conditions in the adsorption experiments were pH 7, 60 min of contact time, 0.5 mg/L ATN initial concentration, and 150 mg/L adsorbent dose. In terms of ATN removal efficiency, coefficients of R² and adjusted R² were 0.999 and 0.998, respectively. Sensitivity analysis also showed that contact time has the greatest effect on increasing the removal of ATN. Pseudo-first-order (R² value of 0.99) was the best kinetic model for the adsorption of ATN, and for isotherm, BET (AIC_C value of 3.27) was the best model that fit the experimental data. According to the obtained results from sensitive analysis, time was the most important parameter, and after that, the adsorbent dose and pH affect positively on ATN removal efficiency. It can be concluded that the modified multiwalled carbon nanotubes can be applied as one of the best adsorbents to remove ATN from the aqueous solution.

中文翻译：

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蒙特卡罗方法的敏感性分析和基于响应面法的改性多壁碳纳米管去除阿替洛尔的预测：等温线和动力学研究

阿替洛尔 (ATN) 是一种β-阻滞剂药物广泛用于治疗心律失常和高血压。由于人体不能完全代谢它，这种药物已普遍存在于许多环境基质中。在本研究中，响应面法 (RSM) 用于通过 NaOCl 和超声波对 ATN 在改性多壁碳纳米管 (M-MWCNTs) 上的吸附预测。敏感性分析采用蒙特卡罗方法。通过蒙特卡罗模拟器进行灵敏度分析以确定有效参数。使用 RSM 的非线性二阶模型进行方差统计分析 (ANOVA)。研究了接触时间(min)、吸附剂用量(g/L)、pH和ATN初始浓度(mg/L)等影响参数，确定了最佳条件。使用伪一级、伪二级和粒子内扩散模型评估了 M-MWCNTs 上 ATN 吸附的动力学。该系统的平衡等温线通过 ISOFIT 软件进行分析。根据我们的结果，吸附实验的最佳条件是 pH 7、60 分钟的接触时间、0.5 mg/L ATN 初始浓度和 150 mg/L 吸附剂剂量。在 ATN 去除效率方面，系数为R ²和调整后的R ²分别为 0.999 和 0.998。敏感性分析还表明，接触时间对增加 ATN 去除的影响最大。伪一级（R ²值为0.99）是ATN吸附的最佳动力学模型，对于等温线，BET（AIC _C值为3.27）是与实验数据拟合的最佳模型。根据灵敏分析得到的结果，时间是最重要的参数，其次是吸附剂用量和pH对ATN去除效率有正向影响。可以得出结论，改性多壁碳纳米管可以用作从水溶液中去除ATN的最佳吸附剂之一。