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 (SBET = 866, 1105, 1260, 1100 and 1060 m2g−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.