Thermodynamic and Chemical Equilibrium in the Carbonylation the Glycerol with Carbon Dioxide to Produce Glycerol Carbonate by Using Metal Oxide Nanoparticles as Catalyst

In this our paper, the Thermodynamic and chemical equilibrium for the glycerol carbonate synthesis from glycerol carbonylation was investigated. The chemical equilibrium constants were calculated for the reactions to produce glycerol carbonate from glycerol. The reaction of glycerol with carbon dioxide is thermodynamically limited. For the reaction of glycerol with carbon dioxide, increasing pressure is favorable to the chemical reaction equilibrium. However, the chemical reaction equilibrium constant is still very small even at pressure as high as 5 MPa. Combined with the effect of temperature on the equilibrium constant described as above, it can be concluded that the reaction of glycerol with carbon dioxide is truly limited in thermodynamics. For the reaction of glycerol with carbon dioxide, the chemical reaction equilibrium constant decreased lightly with the increase of reaction temperature. It can be concluded that the reaction of glycerol with carbon dioxide is thermodynamically unfavorable because the chemical reaction equilibrium constant is quite small. Usually, the yield of glycerol carbonate was small when the reaction of glycerol with carbon dioxide was adopted to produce glycerol carbonate. Thermodynamic data for the reactions for carbonalyation of G with CO2 to GC synthesis at (standard condition), T = 298.15 oK and 101, 325 Pa (rHm, rGm, rSm and K) of the reactions for GC synthesis were (-9.13, -110.85, 23.92 and 6.4110-5) respectively. That means the reactions for carbonalyation of G with CO2 to GC synthesis was exothermic reaction, quite small chemical reaction equilibrium, spontaneous in the opposite direction. The enthalpy (Heat of reaction) change (H_T=74.946 kJ. mol^ (-1)) is independed of bath and it was endothermic reaction because of the effect of dehydrating agents.