Amino-functionalized Al-MIL-53 for dimethoate pesticide removal from wastewater and their intermolecular interactions

Aluminum-organic framework was reformed with various amount of amino-group (Al-(BDC)(x)(BDC-NH2)(1-x), x = 0.00, 0.25, 0.50, 0.75 and 1.00). The technique used to modify the aluminum-based metal-organic framework was the mixed bonding method. All prepared metal-organic frameworks exhibited the same structure as that of Al-MIL-53. The surface areas of amino-functionalized aluminum-based metal-organic framework showed (S-BET = 866, 1105, 1260, 1100 and 1060 m(2)g(-1)) for Al-BDC, [Al-(BDC)(0.75)(BDC-NH2)(0.25)], [Al-(BDC)(0.5)(BDC-NH2)(0.5)], [Al-(BDC)(0.25)(BDC-NH2)(0.75)] and Al-BDC-NH2, respectively. Amino groups have a great effect on organophosphorus insecticide dimethoate adsorption capability. Pesticide adsorption capacities of Al-BDC, [Al-(BDC) (0.75)(BDC-NH2)(0.25)], [Al-(BDC)(0.5)(BDC-NH2)(0.5)], [Al-(BDC)(0.25)(BDC-NH2)(0.75)] and Al-BDC-NH2 were 154.8, 267.2, 513.4, 344.7 and 266.9 mg g(-1), respectively. Fortunately, the results show that Al-(BDC)(0.5)(BDC-NH2)(0.5) is the best absorbent Al-MOF ratio to reduce dimethoate residue in wastewater. Monte Carlo simulation was used for evaluation of the dimethoate adsorption mechanism. (C) 2020 Elsevier B.V. All rights reserved.