▎ 摘　　要

Carbon-phenolic (CF-PR) composites with 0.1 wt % graphene oxide (GO) and acidified graphitic carbon nitride (ag-C3N4) were synthesized and characterized to understand their thermal properties. The thermal conductivity, coefficient thermal expansion, dynamic mechanical analysis, and scanning electron microscopy were used in our experimental efforts. The results demonstrate that the ag-C3N4-filled composite had 17.17% and 54% reductions in the thermal conductivity and coefficient thermal expansion, respectively, when compared with the neat composite, although the GO-filled showed a 8.54% decrease and a 30% increase, respectively. Furthermore, reactive molecular dynamics simulation was used to investigate the mechanisms at the atomistic level when the composites are subjected to thermal behavior. The simulated results show that the influence of GO and ag-C3N4 on the thermal conductivities of the composites was different. Lowly loaded GO favored the more interfacial thermal resistance. However, the stronger electronegativity in ag-C3N4 favored the formation of a vacuum zone in the matrix; this contributed to increasing the interfacial boundaries and defect scattering. The simulation results are expected to be of great help to serve as a guide for further experiments concerning the thermal properties. (c) 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46242.