نوع مقاله : مقاله پژوهشی
موضوعات
عنوان مقاله English
نویسنده English
One of the major challenges in the field of chemistry and engineering is the separation of mixtures of water and other substances. In this research, the separation of water and acetone mixture using silicon carbide nanotubes with chirality (4,4) and (5,5) has been investigated through molecular dynamics simulation. The results showed that the mixture of water and acetone could be separated using (4,4) silicon carbide nanotubes, where water molecules were able to pass through these nanotubes, but acetone molecules were unable to pass due to their larger size and steric hindrance. In contrast, in the system involving (5,5) nanotubes, both species were able to pass through the nanotube, thus rendering this system incapable of separating the present mixture. The obtained results were validated by PMF analysis, indicating that in (4,4) nanotubes, steric hindrance prevented acetone molecules from passing through. Additionally, this research examined the effect of increased pressure applied to the system and the increase in the system's temperature. The impact of an electric field on the separation process was also investigated.
کلیدواژهها English