ZHANG Bao, ZHAO Wenping, WANG Guiru, GUO Hongchen
(Department of Catalytic Chemistry and Engineering & State Key Laboratory for Fine Chemical, Dalian University of Technology, Dalian 116012, China)
Abstract: Thermodynamic analysis of methanol to hydrocarbons system has been carried out. Enthalpy change, Gibbs free energy change and equilibrium constant at different temperatures were calculated for each reaction. Thermodynamic equilibrium compositions of the C2-10 hydrocarbons products were estimated by the method of simultaneous equations of equilibrium constant. The results indicated that the process of methanol to hydrocarbons involves strong exothermic, the maximum heat release is up to 90 kJ/mol for 1 mol methanol conversion; In the reaction system, most of reactions could be taken as irreversible processes except methanol dehydration; High temperature and low pressure are adverse to alkanes, but favor to the olefins and aromatics to a certain extent. In our research, the change trend of calculated values is relatively consistent with that in experimental results. In actual MTH reaction process, the most important factor is not thermodynamics control but the choice of proper catalysts and reaction conditions.
Key words: methanol; aromatics; olefins; methanol to hydrocarbons; thermodynamic equilibrium
Journal of Molecular Catalysis, Vol. 26, Issue 6, 2012, 546-553