چکیده مقاله
A simulation of the bond behavior in an iron surface and polyurethane coating has been carried out using molecular dynamics The influence of polyethylene glycol molecular mass on interaction energy between polyurethane and iron surface was studied All simulations are performed in BIOVIA Material Studio 2017 Constructed polymers put in an amorphous cell to optimize and create a polymer surface layer Models relaxion are operated in a NVE dynamic run Relaxed structures are used to study interaction energy Total energy of system calculated as polymer and surface separately to estimate interaction energy The result proves that increase in polymer mass cause larger surface area and bigger interaction energy Absolut value Metal surface energy approximately remains constant while PEG 400’s polymer has smallest energy and creates the most stable polymer
کلیدواژهها
نویسندگان
Bardia Irajian
Bachelor of Science, Polymer Engineering Group, Polymer and Chemical Engineering Faculty, Tehran University
Paria Barari Jirandehi
Bachelor of Science, Polymer Engineering Group, Polymer and Chemical Engineering Faculty, Tehran University
Muhammad Miri
Bachelor of Science, Polymer Engineering Group, Polymer and Chemical Engineering Faculty, Tehran University
شیوه ارجاع
Irajian, Bardia and Barari Jirandehi, Paria and Miri, Muhammad,1400,The effect of variation in Polyethylene Glycol Molecular Mass in Polyurethane Coating on Polyurethane Interaction Energy with Iron,Fifth International Conference on Technology Development in Chemical Engineering,Tehran
ارائهشده در
مجموعه مقالات ششمین کنفرانس بین المللی توسعه فناوری در مهندسی شیمی31 اردیبهشت 1402 · تهران