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The evaluation of heat transfer and fluid mechanics mechanisms to increase the thermal efficiency and combustion quality in heavy industries, such as power plants, are important and significant issues in the field of engineering sciences, which can lead to significant advances. In this regard, the present research has been developed with thermodynamic, chemical kinetics and numerical simulations of the MONTAZER GHAEM Power Plant boiler that is located in IRAN, to study the increase in efficiency and reduce environmental pollution. Also in this research, the results of practical tests have been used to verify the simulations.