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Organic polyalcohol and amine globular molecular crystals such as PG, TRIS, and NPG are considered as the most promising potential candidates for solid-state thermal energy storage in the orientationally disordered high temperature phases. In this study, we first propose a new PG-TRIS-NPG phase diagram based on experimental data of the three sub-binary systems NPG-PG, PG-TRIS, and NPG-TRIS with CALPHAD methodology. The NPG-PG binary phase diagram was optimized using sub-regular models that showed complete miscibility in the entire compositional range of high temperature γ′ (FCC) phase region, and an invariant equilibrium point at 299.5 K. The NPG-TRIS binary system was also calculated using sub-regular model, from sub-ambient to well above the melting temperatures, and determined three invariant equilibria at 311.1 K, 391.8 K, and 410.6 K, respectively. These calculated binary …