This study dealt with the optimal design of the chemical reaction heat pump system employing the reactive distillation process through modelling and simulation A set of 2-propanol dehydrogenation and acetone hydrogenation reactions was used as heat transfer media. The results of simulation showed that the chemical reaction heat pump system embedded with a reactive distillation process had the better performance compared to the previous ones using a conventional distillation process. This paper proposes a new design criterion for the optimal operation of the chemical heat pump system employing the reactive distillation process by mathematical modelling and numerical simulation.