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

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Date of Publication:2024-10-07

Journal:SSRN

ISSN No.: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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