مطالعه ي برهمكنش بين فازهاي نانو كامپوزيت پليمر/ گرافن با استفاده از شبيه سازي مولكولي

Investigation on interactions between phases in polymer/graphene nanocomposites via molecular simulation

Increasing the adhesion between two phases in nanocomposite will caused to have better physical and mechanical properties. In this article we study interaction energy between graphen and two types of polymers Cellulose and PE, a natural and a synthesized polymer. The amount of interaction energies were calculated with heating and cooling and give enough time to achieve equilibration