Aiming at improving the quality of syngas, the thermochemical behaviour of syngas formation during a single coal particle gasification process is investigated based on a validated numerical model. Initially, simulations of coal gasification with steam (H 2 O) are conducted in a reactor, and the results show that the steam gasification generally favours the production of H 2 and CH 4 . However, a switch of agent to CO 2 into the gasifier influences the gasification products having H 2 , CO and CH 4 . This is then prompted to the investigation of a mixture of H 2 O and CO 2 agent in the reactor's environment, and the results show a promising indicator in producing the overall better syngas quality. Moreover, the influence of the coal particle size and gasification temperature on the syngas production is studied. The results 2 identify that the concentration of syngas products is higher when using smaller coal particles as the behaviour of heterogeneous reactions of CO formation is affected by the particle size.Finally, high temperature promoted the chemical reactions of the gasification process, resulting in the improved production of syngas.