Ternary phase diagram calculations of pentaerythritol-pentaglycerine-neopentylglycol system

► Ternary phase diagrams of polyalcohols are developed using the CALPHAD method. ► These ternary phase diagrams are thermodynamically calculated for the first time. ► Orientational disorder is observed in the high temperature (energy storage) phase. ► Polyalcohols are potential thermal energy storage materials.