Theoretical analysis of thermal conductivities of water and heavy water based on thermal resistance network model

Abstract

Thermal conductivity of liquid water is distinct from that of ordinary liquids due to its complex hydrogen bonding network. In this study, we develop the thermal resistance network model, supplemented by molecular dynamics simulations, to calculate the thermal conductivities of water and heavy water over a temperature range of 275–375 and 300–375 K, respectively. The thermal conductivities of both water and heavy water are computed at various temperatures and pressures, and the results provide agreement with experimental data. Furthermore, it is pointed out that our model offers an interpretation of thermal conductivity based on heat paths among water clusters rather than the traditional vibrational modes.