Elucidation of Selectivity Reversals for Binary Mixture Adsorption in Microporous Adsorbents.

ABSTRACT: The adsorption selectivity, S _ads, is a key metric that quantifies the efficacy of any adsorbent in mixture separations. It is common practice to use ideal adsorbed solution theory (IAST) for estimating the value of S _ads, using unary isotherm data inputs. In a number of experimental investigations, the phenomena of selectivity reversals and adsorption azeotropy (S _ads = 1) have been reported in the published literature; such reversals may result from changes in mixture compositions, pressures, or pore loadings. In many cases, IAST is unable to anticipate such selectivity reversals. In this article, configurational-bias Monte Carlo simulations are used to gain insights into the phenomena of selectivity reversals. Two fundamentally diffe

SUBMITTER: Krishna R 

PROVIDER: S-EPMC7178797 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature