The thermodynamic analysis of the hydrogenation of methyl oleate to bio-paraffins via hydrodeoxygenation (HDO)

hydrodecarbonylation (HDCO) or hydrodecarboxylation (HDCO2) routes was carried out by the Benson group-contribution method. Changes of enthalpy

entropy and Gibbs free energy

as well as the standard equilibrium constants

for each reaction were calculated in the temperature range of 613—653 K. The equilibrium distribution of products as a function of temperature was also simulated based on an equilibrium reactor of PRO/Ⅱ software and compared with the experimental data. The calculated thermodynamics indicates that HDO

HDCO and HDCO2 of methyl oleate are exothermic processes

with the released heat decreasing in the order of HDO>HDCO2>HDCO

and each reaction can take place spontaneously and proceed completely. Moreover

improving temperature prefers HDC to HDO products at equilibrium

results in a decreasing HDO/HDC ratio from 1.92 to 0.56 as the temperature rises from 613 K to 653 K

consisting well with the experimental data collected in the catalytic hydrogenation of methyl oleate.