Inner vitality and temperature of a carbon nanotube: Fullerenes, Nanotubes and Carbon Nanostructures: Vol 0, No 0

Summary

Modelling the hydrogen combustion response confined in carbon nanotubes (CNTs) implies the efficient management of the preliminary circumstances of place and velocities of the gasoline and of the nanocontainer, in order to breed the stress and temperature of the system. On this work, the preliminary circumstances of the gasoline particles had been randomly generated in line with the Maxwell-Boltzmann distributions at a given temperature. As for the CNT construction, we observe a process which relates the interior vitality of the CNT to its temperature, which allowed us to outline the kinetic vitality to distribute to be able to get hold of a CNT on the similar temperature because the reactive combination. Outcomes point out that we are able to find the carbon atoms at their equilibrium geometries and use $3N{\mathrm{okay}}_{\mathrm{B}}T$ for his or her common kinetic vitality.