Related Experiment Video
Updated: Jul 25, 2025
Tuning the Acidity of Pt/ CNTs Catalysts for Hydrodeoxygenation of Diphenyl Ether
Published on: August 17, 2019
Theoretical Study for Adsorption-Diffusion on H-MOR and Pyridine Pre-adsorbed H-MOR of Dimethyl Ether Carbonylation
Jiabao Zhao1, Weixin Qian1, Hongfang Ma1
1Engineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.
Abstract:
For dimethyl ether (DME) carbonylation, pyridine pre-adsorbed hydrogen mordenite (H-MOR) is beneficial to prolonging the catalyst life. The adsorption and diffusion behaviors on periodic models H-AlMOR and H-AlMOR-Py were simulated. The simulation was based on Monte Carlo and molecular dynamics. The following conclusions were drawn from the simulation results. The adsorption stability of CO in 8-MR is increased, and the adsorption density of CO in 8-MR is more concentrated on H-AlMOR-Py. 8-MR is the main active site for DME carbonylation, so the introduction of pyridine would be beneficial for the main reaction. The adsorption distributions of methyl acetate (MA) (in 12-MR) and H2O on H-AlMOR-Py are significantly decreased. It means the product MA and the byproduct H2O are more easily desorbed on H-AlMOR-Py. For the mixed feed of DME carbonylation, the feed ratio (PCO/PDME) must reach 50:1 on H-AlMOR so that the reaction molar ratio can reach the theoretical value (NCO/NDME ≈ 1:1), while the feed ratio on H-AlMOR-Py is only up to 10:1. Thus, the feed ratio can be adjusted, and raw materials can reduce consumption. In conclusion, H-AlMOR-Py can improve the adsorption equilibrium of reactants CO and DME and increase the concentration of CO in 8-MR.
More Related Videos
12:08Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes
Published on: June 24, 2022
12:05Preparation of Hydrophobic Metal-Organic Frameworks via Plasma Enhanced Chemical Vapor Deposition of Perfluoroalkanes for the Removal of Ammonia
Published on: October 10, 2013
Related Concept Videos
03:08Hydroboration-Oxidation of Alkenes
02:36Regioselectivity and Stereochemistry of Hydroboration
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
01:17Electrophilic 1,2- and 1,4-Addition of HX to 1,3-Butadiene
01:23Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control
02:47Alkynes to Aldehydes and Ketones: Hydroboration-Oxidation
One of the convenient methods for the preparation of aldehydes and ketones is via hydration of alkynes. Hydroboration-oxidation of alkynes is an indirect hydration reaction in which an alkyne is treated with borane followed by oxidation with alkaline peroxide to form an enol that rapidly converts into an aldehyde or a ketone. Terminal alkynes form aldehydes, whereas internal alkynes give ketones as the final product.
02:15Preparation of Alcohols via Addition Reactions
The acid-catalyzed addition of water to the double bond of alkenes is a large-scale industrial method used to synthesize low-molecular-weight alcohols. An acidic atmosphere is required to allow the hydrogen in the water molecule to act as an electrophile and attack the double bond in an alkene. The addition of a proton to the double bond creates a carbocation intermediate. The proton preferentially bonds to the less substituted end of the double bond to create a more stable carbocation...