合成气一步法制二甲醚反应宏观动力学

在480～550K和3～8MPa的条件下,对C301和γ-Al2O3复合双功能催化剂上合成气气相一步法制二甲醚反应进行了系统的研究,确立了相关的反应器、热力学与动力学模型,并对模型参数进行优化回归,深入地探讨了该过程的化学反应规律。运用MonteCarlo模拟法验证了各个回归参数的有效性,为实验结果分析、拟合数据结果的可信性校验以及实验方法的改进提供了重要信息。

Study on Macro-Kinetics of One-Step DME Synthesis from Synthesis Gas

Mechanism of one-step production of dimethyl ether (DME) from synth es is gas over a commercial C301 Cu-Zn based catalyst and a γ-Al2O3 catalyst a t 480 ～550 K and 3～8 MPa was studied.Experimental data and theoretical calculations w ere used to develop the thermodynamics,reaction kinetics and reactor model.Th e rmodynamic and kinetics features were discussed in detail.A reaction kinetics m odel that can provide reliable data for simulations and engineering applications was developed from the experiments.Kinetics parameters were determined by lea s t squares regression.Monte Carlo simulations of experiments were performed to a nalyze the effects of operating conditions and instrumental uncertainties in mea surement of experiment variables on reliability of kinetics parameters of reac ti on kinetics model.These simulations gave the confidence limits of the kinetics parameters and were useful for experiment design for acquisition of more dat a.E xperimental data and results are useful for understanding the mechanism and the further development of the one-step DME production process.They constitute a f undamental database for pilot plant scale experiments.