Nanofiltração de hormônios e metais pesados em nanotubos de carbono e de boro por dinâmica molecular

Abstract

Sewage treatment stations receive various effluents and perform the selective filtering of molecules that can, if they persist in the water, contaminate or the environment. Selection processes initiated by larger sections down to nanoparticles. Among the molecules called emerging contaminants are hormones and heavy metals that impact on graves consequences on organisms by endocrine-disrupting action. When surface waters receive effluents with traces of contamination and hormones or heavy metals, they will cause diseases in living beings, especially in pregnant women and children, as well as interfering in the chains of DNA, also affecting the next generations. This study of molecular tests carried out with nanofiltration: water with hormones and water with heavy metals filtered through carbon nanotubes and boron nitrogen, under the action of 8 (eight) electric fields lasting 100 (hundred) ps. The study hormones were: estrone, estradiol, estriol, progesterone, ethinylestradiol, levonorgestrel, diethylbestrol, and heavy metal ions: lead, cadmium, iron, zinc, and mercury. Each of the hormone molecules and the heavy metal were filtered through two nanotubes, under the same boundary conditions. The selected results that allow creating nanofiltration systems that can be removed micropollutants using carbon nanotubes or boron nitride activated by the uniform electrical fields from 10-5 a.u. to 10-8 a.u.