Pressure Effect on Nitroglycerin Sorption inside Single-Wall Carbon Nanotubes: a Monte-Carlo Study

Sorption of drugs in nano-scale materials such as single-wall carbon nanotubes is a very interesting research in nanomedicine. Nitroglycerin is one of drugs that can be used medically as a vasodilator to treat heart conditions. It is one of the oldest and most useful drugs for treating heart disease by shortening or even preventing attacks of angina pectoris. Nitroglycerin can be used to help destroy prostate cancer as well as being used as a heart medicine. Therefore, the study of capability of delivery of nitroglycerin as a drug may be useful in nano-sacle medicine. We apply Monte Carlo simulations to predict the sorptivity of single-wall carbon nanotubes for nitroglycerin at room temperature and varying pressure. The isotherm diagrams for nitroglycerin sorption report to find mechanism of this fluid sorption in single-wall carbon nanotubes. The sorption isotherms show that nitroglycerin can diffuse inside the single-wall carbon nanotubes while their diameter is larger than 10 Å. Also, these results can be verified with energy sorption plots. The density field and the distribution energy diagram were prepared to verify the sorption isotherms of nitroglycerin inside single-wall carbon nanotubes.