Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning-Reference-Cited by-同舟云学术

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Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning

Published:2021-02-15 Issue:8 Volume:9 Page:3043-3049
ISSN:2168-0485
Container-title:ACS Sustainable Chemistry & Engineering
language:en
Short-container-title:ACS Sustainable Chem. Eng.

Author:

Li Qiang¹^ORCID,Wittreich Gerhard²^ORCID,Wang Yifan²,Bhattacharjee Himaghna²^ORCID,Gupta Udit¹,Vlachos Dionisios G.¹²^ORCID

Affiliation:

1. Catalysis Center for Energy Innovation, University of Delaware, 221 Academy St., Newark, Delaware 19716, United States

2. Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy St., Newark, Delaware 19716, United States

Funder

Office of Energy Efficiency and Renewable Energy

Division of Civil, Mechanical and Manufacturing Innovation

Publisher

American Chemical Society (ACS)

Subject

Renewable Energy, Sustainability and the Environment,General Chemical Engineering,Environmental Chemistry,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acssuschemeng.0c08856

Reference44 articles.

1. Catalytic Transformation of Lignin for the Production of Chemicals and Fuels

2. Bright Side of Lignin Depolymerization: Toward New Platform Chemicals

3. Lignin utilization: A review of lignin depolymerization from various aspects

4. The Catalytic Valorization of Lignin for the Production of Renewable Chemicals

5. Bio-oil from fast pyrolysis of lignin: Effects of process and upgrading parameters

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1. Exploring factors affecting the dissociation energies of C–O and C–C bonds in lignin oligomers;Chemical Engineering Science;2024-09

2. A review of computational approaches used in the modelling, design, and manufacturing of biodegradable and biobased polymers;Progress in Polymer Science;2024-09

3. On the Development of Descriptor-Based Machine Learning Models for Thermodynamic Properties: Part 1—From Data Collection to Model Construction: Understanding of the Methods and Their Effects;Processes;2023-11-29

4. Effect of Solvent on the Interaction of Lignin with a Zeolite Nanosheet in the Condensed Phase;The Journal of Physical Chemistry B;2023-07-21

5. CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis;Journal of Chemical Information and Modeling;2023-07-12

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