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Effective Removal of the Direct Black-38 Dye from Wastewater Using a New Silica-Modified Resin: Equilibrium and Thermodynamics Modeling Studies
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-09-15 , DOI: 10.1021/acs.jced.0c00292 Ranjhan Junejo 1 , Shahabuddin Memon 1 , Savas Kaya 2
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-09-15 , DOI: 10.1021/acs.jced.0c00292 Ranjhan Junejo 1 , Shahabuddin Memon 1 , Savas Kaya 2
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In this study, the synthesis of p-diethanolaminomethylcalix[4]arene and its immobilization on a silica surface have been performed for the removal of the direct black (DB-38) dye from wastewater samples. The newly synthesized p-diethanolaminomethylcalix[4]arene-immobilized silica (DIS) resin has been analyzed and characterized by FTIR spectroscopy and SEM techniques. To check the efficiency of the DIS resin, batch and column adsorption procedures have been applied under the optimized parameters, i.e., resin dosage, pH, and temperature. To validate the experimental data, Langmuir, Freundlich, and D-R models have been applied. The results show that adsorption follows the Freundlich model well with a good correlation coefficient (R2= 0.999). Moreover, the energy E (kJ/mol) was calculated with the help of the D-R model, which suggested that the adsorption has an ion exchange nature. The DIS resin was also applied to real industrial samples of DB-38 dye wastewater. The results show that the DIS resin removes 99% of the dye successfully. Thermodynamics studies were conducted to know the feasibility and the mechanism of the adsorption reaction. The thermodynamic parameters show that the adsorption is spontaneous and exothermic. The theoretical calculation was performed at the B3LYP/DZP calculation level of the ADF program, and the power of the interaction between adsorbent and dye molecules can be determined in the light of chemical reactivity analysis.
中文翻译：
使用新型二氧化硅改性树脂有效去除废水中的直接黑38染料：平衡和热力学建模研究
在这项研究中，已经进行了对二乙醇氨基甲基杯[4]芳烃的合成及其在二氧化硅表面的固定，以去除废水样品中的直接黑色染料（DB-38）。通过FTIR光谱和SEM技术分析和表征了新合成的对二乙醇氨基甲基杯杯[4]芳烃固定化的二氧化硅（DIS）树脂。为了检查DIS树脂的效率，已在优化的参数（即树脂用量，pH和温度）下应用了批吸附和柱吸附程序。为了验证实验数据，已应用Langmuir，Freundlich和DR模型。结果表明，吸附遵循Freundlich模型，具有良好的相关系数（R 2 =0.999）。此外，借助DR模型计算了能量E（kJ / mol），这表明吸附具有离子交换性质。DIS树脂还用于DB-38染料废水的实际工业样品。结果表明，DIS树脂成功去除了99％的染料。进行热力学研究以了解吸附反应的可行性和机理。热力学参数表明吸附是自发的并且放热的。在ADF程序的B3LYP / DZP计算级别上进行了理论计算，可以根据化学反应性分析确定吸附剂与染料分子之间相互作用的能力。
更新日期：2020-10-08
中文翻译：
使用新型二氧化硅改性树脂有效去除废水中的直接黑38染料：平衡和热力学建模研究
在这项研究中，已经进行了对二乙醇氨基甲基杯[4]芳烃的合成及其在二氧化硅表面的固定，以去除废水样品中的直接黑色染料（DB-38）。通过FTIR光谱和SEM技术分析和表征了新合成的对二乙醇氨基甲基杯杯[4]芳烃固定化的二氧化硅（DIS）树脂。为了检查DIS树脂的效率，已在优化的参数（即树脂用量，pH和温度）下应用了批吸附和柱吸附程序。为了验证实验数据，已应用Langmuir，Freundlich和DR模型。结果表明，吸附遵循Freundlich模型，具有良好的相关系数（R 2 =0.999）。此外，借助DR模型计算了能量E（kJ / mol），这表明吸附具有离子交换性质。DIS树脂还用于DB-38染料废水的实际工业样品。结果表明，DIS树脂成功去除了99％的染料。进行热力学研究以了解吸附反应的可行性和机理。热力学参数表明吸附是自发的并且放热的。在ADF程序的B3LYP / DZP计算级别上进行了理论计算，可以根据化学反应性分析确定吸附剂与染料分子之间相互作用的能力。
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