Equilibrium calculations for direct synthesis of dimethyl ether from syngas

Thermodynamic analysis of single‐step synthesis of dimethyl ether (DME) from syngas over a bi‐functional catalyst (BFC) in a slurry bed reactor has been investigated as a function of temperature (200–240°C), pressure (20–50 bar), and composition feed ratio (H 2 /CO: 1–2). The BFC was prepared by physical mixing of CuO/ZnO/Al 2 O 3 as a methanol synthesis catalyst and H‐ZSM‐5 as a methanol dehydration catalyst. The three reactions including methanol synthesis from CO and H 2 , methanol dehydration to DME and water–gas shift reaction were chosen as the independent reactions. The equilibrium thermodynamic analysis includes a theoretical model predicting the behaviour and a comparison to experimental results. Theoretical model calculations of thermodynamic equilibrium constants of the reactions and equilibrium composition of all components at different reaction temperature, pressure, and H 2 /CO ratio in feed are in good accordance with experimental values.