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• Thermal behavior of rectangular fins located within a square cavity were analyzed. • Inverse CFD method and experimental data were adopted for heat transfer prediction. • Suitable turbulence model based on the RMSE of the flow model were selected. • Effect of fin geometry on the flow and heat transfer within a cavity was evaluated. • Effect of PCM heat sink on the flow and heat transfer within a cavity was studied. This study examines the fluid flow and heat transfer characteristics of rectangular fins positioned within a square cavity through the use of the inverse three-dimensional computational fluid dynamics (CFD) method, experimental analysis, and the constant heat transfer rate assumption. This paper proposes a heat sink that uses a phase change material (PCM) made of paraffin within a small cavity. The inverse CFD method, combined with the least squares method, root mean square error, and excessive experimental data, is adopted to predict the unknown heat transfer rate Q and absorption heat Q ab. One of the objectives of this study is to investigate the effect of the PCM heat sink on fluid flow and heat transfer characteristics within a cavity. A sequence of tests on various flow models indicates that employing the RNG k-ε turbulence model with the standard wall function is the most suitable choice for all scenarios in the three-fin model. Conversely, the zero-equation model proved to be a more adequate fit for the PCM heat sink. Another objective of this study is to study the effect of the height of the PCM heat sink on Q and Q ab. The incorporation of a PCM heat sink results in a further improvement in the efficiency of heat dissipation. Part of the heat created is absorbed by the PCM heat sink, which absorbs 22.5 % of the thermal energy. Under the same volume, the PCM heat sink with a lower height (H p = 0.012 m) absorbs 14 % more heat compared to H p = 0.02 m. Thus, a lower-height PCM heat sink has a better heat dissipation effect. [ABSTRACT FROM AUTHOR]