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The core carrier working substances of heat accumulation of solar thermal generator units are analyzed through computer numerical simulation analysis and simulation experiments, including the selection criteria of working substances, the mechanism of heat accumulation system, the correlation between power generation efficiency and the evaporation temperature of working substance, the correlation between the condensing temperature and condensing pressure of working substance, and the influence of working substance velocity on heat accumulation capacity. The results show that under the same radiation intensity, the greater the flow velocity of the working substance is, the worse the heat accumulation and heat conduction of the working substance is. As the condensing temperature of the working substance increases, the condensing pressure also increases. As the evaporation temperature of the working substance increases, the power generation efficiency of the working substance also increases significantly. In summary, the heat accumulation system based on the high efficiency working substances is vital for the normal operation of solar thermal generator units. Once the solar radiation intensity cannot meet the needs of power generation, the heat accumulation system will output previously-stored thermal energy. Meanwhile, its collection and release of thermal energy depend on the photovoltaic intensity. The constructed hot-oil working substance-based heat accumulation system satisfies the normal operation needs for thermal generator units, which is significant for subsequent research. [ABSTRACT FROM AUTHOR]