چکیده مقاله
The aggregated adsorption and molecular interactions between dopamine and water molecules on the surface ofboron nitride nanotube BNNT were investigated using a molecular dynamics simulation The RMSD, RDF and HBanalysis were performed on investigated system The RMSD analysis showed that the system was stable during 111ns simulations and no structural change occurred in the molecule
کلیدواژهها
adsorption aggregation boron nitride nanotube Dopamine molecular dynamics simulation
نویسندگان
Paniz Shokriyeh
Faculty of chemistry, University of Guilan, Rasht, Iran
Bahram Ghalami-Choobar
Faculty of chemistry, University of Guilan, Rasht, Iran
شیوه ارجاع
Shokriyeh, Paniz and Ghalami-Choobar, Bahram,1402,Adsorption and aggregation of Dopamine on Boron nitridenanotube using molecular dynamics simulation,the seventh International Conference on Technology Development in Chemical Engineering,Tehran
ارائهشده در
مجموعه مقالات هفتمین کنفرانس بین المللی توسعه فناوری در مهندسی شیمی30 بهمن 1402 · تهران