title: Highly Selective Zeolite Topologies for Flue Gas Separation.
abstract: The separation of carbon dioxide from flue gas is essential for the reduction of greenhouse gas emissions. In adsorptive methods, the challenge lies in the choice of suitable porous materials. Among all zeolite topologies, a number of adsorbents with pore dimensions in the range of the guest molecules were identified to allow an excellent separation by diffusion, and MRE and AFO zeolite topologies appear to be the best candidates based on equilibrium adsorption. Also, it was found that the behavior of this gas mixture in DFT and APD zeolites differed from the normal behavior.
authors: Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Ctra. Utrera km 1., 41013, Seville, Spain.
authors: Paula
authors: http://orcid.org/0000-0001-9440-0600
authors: P
authors: Gómez-Álvarez
authors: Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Ctra. Utrera km 1., 41013, Seville, Spain.
authors: Sofia
authors: S
authors: Calero
keywords: Monte Carlo simulation; adsorption; carbon dioxide; diffusion; molecular dynamics