A series of xFe2(MoO4)3/ss catalysts with different loading of Fe2(MoO4)3 on the ss zeolite were successfully prepared and used as catalysts for the synthesis of 2-ethoxyethyl acetate (EGEA) from ethyl acetate (EA) and 2ethoxyethanol (EGEE). Fe2(MoO4)3 is successfully loaded on ss zeolites according to the results of H2-TPR, UV-vis spectra, FT -IR spectra and XRD. According to the results of NH3-TPD and IR spectra of the pyridine adsorbed, the xFe2(MoO4)3/ss has high proportion of medium to total acid density and bifunctional acids containing both Bronsted and Lewis acidic sites after the loading of Fe2(MoO4)3. The proportion of medium to total acid density increased from 30.9% to 44.58% with the Fe2(MoO4)3 loading increased from 0 to 13.3 wt%. The conversion of EGEE and selectivity to EGEA over 8.1%Fe2(MoO4)3/ss are 74.8% and 100% respectively under the optimal reaction conditions, and the activity of 8.1%Fe2(MoO4)3/ss almost maintained unchanged after 4 cycles. The high activity of 8.1%Fe2(MoO4)3/ss is attributed to large specific surface area, the high proportion of medium -total acid density (44.58%), high Lewis/Bronsted ratio (3.86) and the synergistic action of the Bronsted and Lewis acidic sites.
Deep eutectic solvents (DESs) are becoming increasingly promising as environmentally friendly solvents, and accurate prediction of their density and viscosity is crucial for their successful industrial application. However, existing density and viscosity prediction models primarily rely on temperature variations and often overlook changes in the molar ratio of hydrogen bond acceptors (HBA) to hydrogen bond donors (HBD) in DESs, limiting their practicality. Therefore, in this study, several binary and ternary DESs were synthesized using choline chloride (ChCl) as the hydrogen bond donor. The densities and viscosities of these DESs were measured, and prediction models for the density and viscosity of DESs based on temperature and molar ratio were developed. These models were used to forecast the density and viscosity of DESs at different temperatures and molar ratios. The model parameters are calibrated using experimental data from this research. Finally, the model is utilized to predict the density and viscosity of DESs mentioned in this paper, as well as DESs with varying HBAs and HBDs. The results demonstrate that the discrepancy between the literature value, experimental value, and calculated value is less than 6%, confirming the universal applicability and reliability of the prediction model proposed in this study.
This paper presents a systematic comparison study of the surface redox reaction mechanism for reverse water-gas shift (RWGS) over Ni(111) and Ni(311) surfaces. Specifically, the most stable surface intermediates and the reaction kinetics involved in the direct CO2 activation and water formation steps are computed with density functional theory calculations and compared for the two different Ni surfaces. The results show that CO2, CO, O, H, OH, and H2O species adsorb stronger on Ni(311) than on Ni(111). Compared to Ni(111), the overall barriers for direct CO2 activation and water formation on Ni(311) are lower by 23 and 17kJ/mol, respectively. These observations indicate that the RWGS reaction through the surface redox mechanism should be preferred on Ni(311).