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