To optimize a regenerator’s structure and its operation parameters and, consequently, to increase the efficiency of heat recovery and to save energy, a computational approach is used to study the unsteady three-dimensional flow and heat transfer. The simulation is performed in two steps. In the first step, the gas flow and heat transfer in a typical sphere-bed unit is simulated to deduce a dimensionless equation of heat transfer between gas and sphere. In the second step, a model is developed to simplify the prototype and to simulate the gas flow and heat transfer in the whole regenerator. The heat exchange process in regenerators and the effects of the regenerator’s structure and operation parameters, such as gas mass flux, reversal time, regenerator height, sphere diameter, and thermophysical properties of the spheres, are studied with the model to determine efficiency of heat recovery.