Abstract

In 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.

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