Thermochemical hydrogenation (TCH) of acetone has been modelled for LOHC hydrogen loading process. Herein, acetone TCH was modelled as a continuous process which has also been reported in other literature. Furthermore, acetone TCH was simulated at reaction conditions in the range of those reported from patent literature where at least 98% for both conversion and yield were obtained. Figure and Figure detail the process flow for acetone TCH simulation in Aspen Plus. The acetone feed containing 2wt.% of water at 25°C (S-1) was pumped to the reaction pressure before being fed to the reactor. The presence of water in acetone feed has been reported to reduce formation of 4-methyl-2-pentanol and 2-methylpentane-2,4-diol occurring as side products. However, the water content should be low, preferably below 4wt%, for easier product purification. The pumped acetone stream (S-2) contained a temperature and pressure of 28℃ and 2MPa, respectively.