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Research on Modeling the Lignin Waste Molecular Structure and Pyrolytic Reactions Using Reaxff Md Method

Release Time:2024-11-19  Hits:

Date of Publication: 2024-10-07

Journal: SSRN

ISSN: 1556-5068

Key Words: 4; Aliphatic carbon; Atoms; Carbon dioxide; Carboxyl groups; CH; Hydrogen; Hydrogenation; Hydrogen bonds; Lignin waste; Molecular model; Molecular structure; Molecules; Positive correlations; Pyrolysis; Pyrolysis reaction; Pyrolysis temperature; Reaction mechanism; Reaxff MD

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