Study On Catalytic Materials Of Hydrogenation Of Methyl Acetate To Ethanol

The reserves of petroleum resources are decreasing.At present,ethanol is a promising liquid fuel.How to produce alcohol in an environmentally friendly way has caused extensive research.Due to ecological and economic reasons,research on the improvement of ethanol production technology is accelerating,mainly as a substitute for petroleum fuels.As a new technology,hydrogenation of methyl acetate has great prospects in solving the production of fuel ethanol and resolving the excess production of acetic acid,which has received extensive attention.In the first part of the thesis,the effect of In2O3 doping on the activity of In-Cu/SiO2 catalyst and the stability of Cu/SiO2 nd In-Cu/SiO2 were investigated using a fixed-bed reactor,and N2 isothermal desorption,N2O titration,X-ray diffraction,Fourier transform infrared spectroscopy,inductively coupled plasma spectroscopy,temperature-programmed reduction,transmission electron microscopy,and X-ray photoelectron spectroscopy were used to characterize the physicochemical properties of the catalysts.The results of activity and stability evaluation showed that the conversion of methyl acetate and the yield of ethanol were 97.8%and 95.8%,respectively,which was a big improvement compared with Cu/SiO2;1In-Cu/SiO2catalyst stability has also greatly improved.The characterization results show that doping proper amount of In2O3 into the catalyst can significantly improve the dispersion of Cu,reduce the Cu grain size,increase the content of Si malachite copper in the precursor of the catalyst,and increase the proportion of Cu~+on the surface.It will contribute to the improvement of the activity and stability of the catalyst.The second part is the study of the DMol3 module in the Material Studio simulation software to study the adsorption and co-adsorption of key reaction components on Cu(111)and Cu2O(111)surfaces,including methyl acetate,hydrogen,methoxy,acetyl.The experimental results show that in addition to the co-adsorption of methoxy and acetyl groups,the adsorption of other components on the Cu2O(111)surface is more stable,indicating that a high Cu~+content will be beneficial to the improvement of the catalyst performance,which will provide basic data and ideas for the subsequent study of the catalytic reaction and mechanism.