Thermal activation of ethylene glycol embedded in carbon nanotubes – Computer simulation study

We performed all atoms molecular dynamics simulations of ethylene glycol embedded inside single walled (17,0) and (10,10) carbon nanotubes, as well as bulk ethylene glycol, to study the influence of the spatial constraints and interaction between the embedded molecules and internal surface of the nanotubes on thermal activation of the system and deviation from purely Debye relaxation characteristic observed in bulk ethylene glycol liquid.