Kinetic model of hydropyrolysis based on the CPD model

• A kinetic model of hydropyrolysis based on the CPD model was developed.
• Hydrogenation reactions of reactive intermediates with hydrogen were considered.
• The model was validated against published experimental data.
• The influence of coal type, final temperature, and pressure was shown.

A kinetic model of hydropyrolysis was developed based on the Chemical Percolation Devolatilization (CPD) network devolatilization model, considering the hydrogenation reactions of active species and fragments produced during the decomposition of the coal structure with hydrogen. Light gas compositions were calculated and the yields of oxygen-containing species were corrected. The calculation results show that the model well predicts the yields of volatile matter and methane for the coals that are in the scope of application of the correlation of the chemical structure parameters, with the value of β ranging from 0.0035 to 0.004 atm−1, where β is a coefficient related to the ratio of the reaction rate of hydrogenation to that of crosslinking. The model successfully predicts the influence of coal type, final temperature and pressure on the hydropyrolysis yield and gas compositions. Further studies are needed to validate the model and determine the value and influencing factors of β.