Water/Alcohol Mixture Adsorption in Hydrophobic Materials: Enhanced Water Ingress Caused by Hydrogen Bonding.

ABSTRACT: Microporous crystalline porous materials such as zeolites, metal-organic frameworks, and zeolitic imidazolate frameworks (ZIFs) have potential use for separating water/alcohol mixtures in fixed bed adsorbers and membrane permeation devices. For recovery of alcohols present in dilute aqueous solutions, the adsorbent materials need to be hydrophobic in order to prevent the ingress of water. The primary objective of this article is to investigate the accuracy of ideal adsorbed solution theory (IAST) for prediction of water/alcohol mixture adsorption in hydrophobic adsorbents. For this purpose, configurational bias Monte Carlo (CBMC) simulations are used to determine the component loadings for adsorption equilibrium of water/methanol and water/ethanol mixtures in all-silica zeolites (CHA, DDR,

SUBMITTER: Krishna R 

PROVIDER: S-EPMC7643331 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature