The density functional theory (DFT) model ONIOM(M06L/6-311++G(2df,2p):UFF was employed to reveal the catalytic activity of Cu(II) in the paddle-wheel unit of the metal-organic framework (MOF)-505 material in the Mukaiyama aldol reaction compared with the activity of Cu-ZSM-5 zeolites. The aldol reaction between a silyl enol ether and formaldehyde catalyzed by the Lewis acidic site of both mater...

Due to crude oil is limited, new resources for fuel and petrochemicals are important to be developed. Biogas or NG (Natural Gas) can be easily converted into methanol which can be reacted over zeolite to produce olefins and gasoline. HZSM-5 zeolite catalyst has been used in this study and its modification by (0.5wt%, 1wt%, 2wt% and 4wt %) Ni to convert methanol to hydrocarbons (MTH). Catalysts ...

The adsorption and desorption of N2O on main-group ion-exchanged ZSM-5 was studied using temperature-programmed desorption (TPD) and density functional theory (DFT) calculations. TPD experiments were carried out to determine the desorbed temperature Tmax corresponding to the maximum mass intensity of N2O desorption peak and adsorption capacity of N2O on metal-ion-exchanged ZSM-5s. The results i...

Hierarchical micro-mesoporous ZSM-5 (MFI type) zeolite was synthesized by using corn plant stem pith powder from agricultural waste as hard template under simple hydrothermal method. The additional porosity generated this into the zeolites precursor gel yielded hierarchical (C-ZSM-5). Conventional micro porous (ConvZSM-5) also prepared same procedure without adding to compare catalytic performa...

The promotion of Ag–ZSM-5 by cerium for the selective catalytic reduction (SCR) of NO with methane in the presence of an excess of oxygen was studied in this work. Ce–Ag–ZSM-5 catalyzes the CH4-SCR of NOx over the temperature range of 450–600◦C. Rate measurements of NO reduction to N2 under SCR conditions and of the competing CH4 oxidation by O2 (CH4 combustion) show that incorporation of a sma...