کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7838238 1504813 2018 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Continuous approximation for interaction energy of adamantane encapsulated inside carbon nanotubes
ترجمه فارسی عنوان
تقریب مداوم برای انرژی متقابل آدا آماتان در داخل کربن نانولوله های کربنی
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
چکیده انگلیسی
The interaction energy for two adjacent adamantane molecules and that of adamantane molecules encapsulated inside carbon nanotubes are investigated considering only dipole-dipole induced interaction. The Lennard-Jones potential and the continuous approximation are utilised to derive analytical expressions for these interaction energies. The equilibrium distance 3.281 Å between two adamantane molecules is determined as shown in frigur. The smallest carbon nanotube radius that can encapsulate the adamantane molecule and the radius of the tube that gives the maximum suction energy, linearly depend on the adamantane radius, are calculated. For larger diameter tubes, the off axis position has been calculated, and equilibrium distance between molecule and tube wall is found to be close to the interlayer spacing in graphene.38
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 693, February 2018, Pages 34-39
نویسندگان
, , ,