ie9b06451_si_001.pdf (1.17 MB)
OCEAN: An Algorithm to Predict the Separation of Biogas Using Zeolites
journal contribution
posted on 2020-03-13, 17:36 authored by Isidro Jaraı́z-Arroyo, Ana Martin-Calvo, Juan José Gutiérrez-Sevillano, Carlos Barranco, Norberto Diaz-Diaz, Sofia CaleroIn
this work, we propose the OCEAN algorithm, a method for the
analysis and selection of the best performing material and working
conditions for an efficient separation of carbon dioxide and methane
from biogas. Molecular simulation and intelligent computational techniques
joined forces to generate a reliable database of adsorption values
with an optimized number of parameters, allowing an accurate prediction
of the adsorption behavior of the materials at any working condition
(pressure and temperature). The screening over a large number of possibilities
leads to the selection of the optimal combination of material and
operational conditions for an enhanced biogas purification process.