TY - JOUR
TI - Mechanisms of thermal motion in n-octadecane by copper and copper oxide nanoparticles: Insights from equilibrium molecular dynamics simulations
AU - Qin Haoran
JN - Thermal Science
PY - 2026
VL - 30
IS - 3
SP - 1691
EP - 1699
PT - Article
AB - In this study, equilibrium molecular dynamics simulations were employed to investigate the thermal motion of n-octadecane upon incorporation of Cu and CuO nanoparticles. The results demonstrate a notable increase in diffusion coefficients of nanoparticle based system compared to pure n-octadecane system. The Cu nanoparticle system exhibited a more pronounced enhancement in diffusivity than the CuO counterpart. Radial distribution function analysis revealed strengthened intermolecular interactions and higher atomic packing density in nanoparticle-integrated systems, attributed to the compact molecular arrangement induced by nanoparticle inclusion.
DO - 10.2298/TSCI250525187Q
ER -