使用微观动力学模型优化浆态床合成二甲醚

The synthesis of dimethyl ether (DME) using syngas in a bubble column slurry reactor was simulated. It was assumed that the fluid and the solid phases were mixed completely (CSTR model) and the gas phase was plug flow (PFR model). The ordinary nonlinear differential equations were solved using fourth-order Runge-Kutta integration with automatic step control. The programming language C++ was used to implement the numerical algorithm. The influences of pressure, temperature and catalyst concentration on the conversion, yield and selectivity of DME were studied. The optimal reaction conditions were obtained, which are useful for engineering scale-up and plant design.