利用活化的最大thyysanolaena生物质高效去除废水中的四环素类抗生素:实验优化和DFT模拟

IF 3.5 4区 工程技术 Q3 ENERGY & FUELS
Imotila T Longchar, Shisak Sharma, Raplang Steven Umdor, Priyakshi Bora, Dipak Sinha
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引用次数: 0

摘要

采用批量实验的方法,研究了百叶草活性炭(TMAC)对四环素(TC)的吸附性能。TMAC是通过氢氧化钾与碳化炭以2:1的比例混合的化学活化过程形成的。采用傅里叶变换红外光谱(FT-IR)、扫描电子显微镜-能量色散x射线光谱(SEM-EDX)、x射线衍射(XRD)光谱和布鲁诺尔-埃米特-泰勒(BET)表面积分析等多种分析技术对制备的碳进行了表征。TMAC的比表面积为1065.011 m2/g,总孔容为0.4443 cm3/g,平均孔径为3.036 nm。考察了吸附剂用量(0.15 g/L)、初始TC浓度(20 mg/L)、接触时间(110 min)、温度(328 K)和pH(2)对TC吸附的影响,TMAC的吸附效率高达97%。热力学分析表明,吸附过程是吸热的。Langmuir模型(Qm = 21.317 mg/g)和拟二阶模型(R2 = 0.9980)最适合吸附等温线和动力学研究。该吸附剂的第五次再生循环是成功的,证明了其多次重复使用的能力。密度泛功能理论(DFT)模拟表明,羧基对吸附过程的影响大于羟基和羰基,其吸附值为−47.99 kJ/mol。结果表明,制备的TMAC能有效地去除水溶液中的TC。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Utilization of activated Thysanolaena maxima biomass for the high-performance removal of tetracycline antibiotic from wastewater: experimental optimization and DFT simulation

The study focused on the adsorption of tetracycline (TC) using Thysanolaena maxima activated carbon (TMAC) in a batch experiment. TMAC was formed via a chemical activation process involving potassium hydroxide mixed in a 2:1 ratio with carbonized char. Various analytical techniques such as Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy–energy dispersive X-ray spectroscopy (SEM–EDX), X-ray diffraction (XRD) spectroscopy, and Brunauer–Emmett–Teller (BET) surface area analysis was performed to characterize the produced carbon. The TMAC possessed specific surface area, total pore volume, and average pore diameter values of 1065.011 m2/g, 0.4443 cm3/g, and 3.036 nm, respectively. The effect of various adsorbent dosage (0.15 g/L), initial TC concentration (20 mg/L), contact time (110 min), temperature (328 K), and pH (2) on TC adsorption was investigated, and the TMAC exhibited a high adsorption efficiency of 97%. Thermodynamic analysis revealed that the spontaneous adsorption process was endothermic. The Langmuir (Qm = 21.317 mg/g) and the pseudo-second-order model (R2 = 0.9980) provided the best fit for the adsorption isotherm and kinetic study. The fifth regeneration cycle of the adsorbent was successful, proving its ability to be reused multiple times. Density functional theory (DFT) simulations revealed that the carboxyl group appeared to have a greater impact on the adsorption process than the hydroxyl and carbonyl groups, with an Eadsorp value of − 47.99 kJ/mol. The results indicate that the produced TMAC effectively eliminated TC from aqueous solutions.

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来源期刊
Biomass Conversion and Biorefinery
Biomass Conversion and Biorefinery Energy-Renewable Energy, Sustainability and the Environment
CiteScore
7.00
自引率
15.00%
发文量
1358
期刊介绍: Biomass Conversion and Biorefinery presents articles and information on research, development and applications in thermo-chemical conversion; physico-chemical conversion and bio-chemical conversion, including all necessary steps for the provision and preparation of the biomass as well as all possible downstream processing steps for the environmentally sound and economically viable provision of energy and chemical products.
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