Trace benzene removal from Vinyl acetate (cas 108-05-4) with ZIFs: A computational study
-
Add time:08/19/2019 Source:sciencedirect.com
The removal of trace benzene from Vinyl acetate (cas 108-05-4) with zeolitic imidazolate frameworks (ZIFs), a kind of metal-organic frameworks (MOFs) with formula unit M(IM)2 is studied. ZIF-2, ZIF-3, ZIF-6, ZIF-8, ZIF-10, and ZIF-68 are selected to study the adsorption of benzene and vinyl acetate. Density functional theory (DFT) method is used to study the interaction of the adsorbed molecules with the metal and organic linkers of ZIFs. Various adsorption positions are examined and the preferred configurations are obtained. The adsorption isotherms of benzene and vinyl acetate in pure components and benzene/vinyl acetate mixtures (0.01%/99.99%) in ZIFs at 373 K are obtained by molecular simulation. The calculation results showed that ZIF-68 has the highest selectivity for benzene.
We also recommend Trading Suppliers and Manufacturers of Vinyl acetate (cas 108-05-4). Pls Click Website Link as below: cas 108-05-4 suppliers
Prev:Excess Gibbs free energy for cyclohexane + nitromethane, + nitroethane, + 1-Nitropropane (cas 108-03-2), and + 2-nitropropane at 318.15 K
Next:Density, viscosity, and speed of sound of binary liquid mixtures of Vinyl acetate (cas 108-05-4) with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether) - 【Back】【Close 】【Print】【Add to favorite 】
- Related Information
- Experimental and theoretical insights into the cyclotrimerization of acetylene during Vinyl acetate (cas 108-05-4) synthesis08/21/2019
- Density, viscosity, and speed of sound of binary liquid mixtures of Vinyl acetate (cas 108-05-4) with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether08/20/2019
-
Health and Chemical more >