Investigation of simulation calculations for the removal of water contaminants by the synthesized yttrium metal organic framework(MOFs)

Removal of industrial pollutants, as one of the main environmental problems, has been required by the growth of industries related to dyeing dyes and increasing demand. The most important industrial and chemical dyes that are produced in the pharmaceutical, cosmetic, laboratory, petrochemical and textile industries and have a complex structure as well as carcinogenic effects and severe toxicity, such as Methyl orange, Methylene blue, Red-neutral, Rhodamine B and Timol Blue have been investigated. Stability and chemical resistance in effluents have made, the removal of these environmental pollutant from water as a issue vital and one of the global priorities. In this study, curcumin ligand was used for the synthesis of the yttrium metal-organic framework. The presence of functional groups in this ligand has made the selectivity of these nanostructures. The synthesis process of yttrium metal organic nanostructures was performed using an effective and efficient ultrasound assisted reverse micelle. Dye removal was investigated by Materials Studio simulation. The results showed that due to the interactions of the dye with the metallic organic framework of yttrium, removal Methyl orange dye from the environment was more effective than removing other dyes, which this reduced the cost of experimental experiments to select the desired color.

Keywords:

Y-MOFs , contaminant removal , materials Studio , curcumin , waste water