مشخصات پژوهش

عنوان	Molecular dynamics study on the effect of polymer physisorption on the thermal conductivity of cross-linked functionalized carbon nanotubes
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	Thermal conductivity, functionalized carbon nanotube, adsorption, polyethylene, molecular dynamics simulations
چکیده	In this paper, an investigation into the thermal conductivity of cross-linked functionalized carbon nanotubes under physical adsorption of polyethylene (PE) chains (cfCNTs/PE) is performed using molecular dynamics (MD) simulations. To have a comprehensive study, the covalently attached functional groups with two types of distribution patterns, namely mapped and wrapped configurations, are used. The cfCNT/PE shows a smaller thermal conductivity than that of pure one. Also, the results demonstrate that the thermal conductivity of cfCNTs reduces by the physisorption of PE chains. By rising the weight percentage of physisorbed PE, the thermal conductivity of cfCNT/PE reduces more. Based on the results, for the constant weight percentage of non-covalent PE chains, the thermal conductivity increases as the number of cross-linked PE chains augments.
پژوهشگران	رضا انصاری (نفر سوم)، سامیه حقیقی (نفر دوم)، شهرام آجری (نفر اول)