Journal of Catalysis, Vol.161, No.1, 1-10, 1996
A Steady-State Kinetic-Model for Methanol Synthesis and the Water-Gas Shift Reaction on a Commercial Cu/ZnO/Al2O3 Catalyst
A detailed reaction network, derived from literature data and our own experimental work, is used as a basis for the development of a steady-state kinetic model for methanol synthesis and the water gas shift reaction on a commercial Cu/ZnO/Al2O3 catalyst. Experimental data, obtained in a bench scale setup, operating between 180 and 280 degrees C and at pressures up to 51 bar, are subsequently used for the estimation of the parameters in the proposed model. The result is a mechanistically sound kinetic model, comprising a set of statistically significant and physically meaningful parameter groups. It accurately predicts the experimentally obtained conversions, even upon extrapolation outside the originally applied experimental window. Using this model, the influence of inlet temperature, pressure, and the ratio of p(CO) and p(CO2) are briefly illustrated.
Keywords:PROGRAMMED REACTION SPECTROSCOPY;UNSUPPORTED COPPER-CATALYSTS;FOURIER-TRANSFORM;CARBON-MONOXIDE;MECHANISM;HYDROGEN;DIOXIDE;CU(110)