Designing cellulose based biochars for CO2 separation using molecular simulations

Abstract This study investigates the pyrolysis mechanism of cellulose using reactive molecular dynamics simulations to prepare biochars for CO2 separation applications. Six biochars with densities ranging from 0.160 to 0.987 g/cm³ were prepared, and their performance in adsorbing CO2, CH4, and N2 ga...

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Bibliographic Details
Main Authors: Behnoush Barzegar, Farzaneh Feyzi
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Subjects:
Online Access:https://doi.org/10.1038/s41598-025-86254-x
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