Computational Advances in Ionic Liquid Applications for Green Chemistry: A Critical Review of Lignin Processing and Machine Learning Approaches

Computational Advances in Ionic Liquid Applications for Green Chemistry: A Critical Review of Lignin Processing and Machine Learning Approaches

The valorization and dissolution of lignin using ionic liquids (ILs) is critical for developing sustainable biorefineries and a circular bioeconomy. This review aims to critically assess the current state of computational and machine learning methods for understanding and optimizing IL-based lignin...

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Bibliographic Details
Main Authors: Brian R. Taylor, Nikhil Kumar, Dhirendra Kumar Mishra, Blake A. Simmons, Hemant Choudhary, Kenneth L. Sale
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Molecules
Subjects:
Density Functional Theory (DFT)
biomass processing
lignocellulosic biorefineries
lignin depolymerization
reactive force fields (ReaxFF)
solvent screening
Online Access:https://www.mdpi.com/1420-3049/29/21/5073

Internet

https://www.mdpi.com/1420-3049/29/21/5073

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