Enhancement of thermal transport via electrostatic surface modification by ionic organic additives under electric fields: A molecular dynamics study

HY Sun and D Surblys and T Ohara, APPLIED THERMAL ENGINEERING, 274, 126803 (2025).

DOI: 10.1016/j.applthermaleng.2025.126803

Enhancing interfacial heat transfer between graphite and polymers is crucial in modern technology. In this work, molecular dynamics simulations were conducted to study the heat transfer between graphite and polymers. Ionic organic additives (IOAs) were applied to enhance interfacial thermal transport under electric fields. IOAs are sodium dodecyl benzene sulfonate (SDBS) and dodecyl trimethyl ammonium bromide (DTAB). It was found that as the electric field strength increases, the interfacial thermal conductance increases. It was demonstrated that strong electric fields can dissociate IOAs and cause physical surface adsorption to enhance heat transfer. Adsorbed IOAs optimize vibration matching between graphite and polymers. Driven by electric field forces, IOAs migrate closer to the graphite interface, causing stronger repulsive van der Waals interactions and better transport of thermal energy. This study innovatively proposed a thermal management strategy, where electric fields cooperate with IOAs, expected to promote the development of electronic and energy equipment.

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