Computational Study of Bond Dissociation Enthalpies for Substituted β-O-4 Lignin Model Compounds

ChemPhysChem ◽  
2011 ◽  
Vol 12 (18) ◽  
pp. 3556-3565 ◽  
Author(s):  
Jarod M. Younker ◽  
Ariana Beste ◽  
A. C. Buchanan
Keyword(s):  
Computational Study ◽  
Model Compounds ◽  
Lignin Model Compounds ◽  
Bond Dissociation ◽  
Lignin Model

Theoretical study of bond dissociation energies for lignin model compounds

2015 ◽  
Vol 43 (4) ◽  
pp. 429-436 ◽  
Author(s):  
Jin-bao HUANG ◽  
Shu-bin WU ◽  
Hao CHENG ◽  
Ming LEI ◽  
Jia-jin LIANG ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Dissociation Energies ◽  
Model Compounds ◽  
Lignin Model Compounds ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Lignin Model

A computational study of pyrolysis reactions of lignin model compounds

Holzforschung ◽  
2010 ◽  
Vol 64 (4) ◽  
Author(s):  
Thomas Elder
Keyword(s):  
Free Radicals ◽  
Computational Study ◽  
Closed Shell ◽  
Phenyl Ether ◽  
Electron Delocalization ◽  
Unimolecular Decomposition ◽  
Model Compounds ◽  
Lignin Model Compounds ◽  
Decomposition Reactions ◽  
Lignin Model

Abstract Enthalpies of reaction for the initial steps in the pyrolysis of lignin have been evaluated at the CBS-4m level of theory using fully substituted β-O-4 dilignols. Values for competing unimolecular decomposition reactions are consistent with results previously published for phenethyl phenyl ether models, but with lowered selectivity. Chain propagating reactions of free radicals with a closed-shell dilignol are dominated by structures in which extensive electron delocalization occurs.

Lignin to Value-Added Chemical Synthesis

2020 ◽  
Vol 16 ◽  
Author(s):  
Mahdieh Sharifi ◽  
Ramyakrishna Pothu ◽  
Rajender Boddula ◽  
Inamuddin
Keyword(s):  
Ionic Liquids ◽  
Lignocellulosic Biomass ◽  
Academic Research ◽  
Power Saving ◽  
Value Added ◽  
Glycerol Ether ◽  
Model Compounds ◽  
Lignin Model Compounds ◽  
Biomass Activity ◽  
Lignin Model

Background: There is a developing demand for innovation in petroleum systems replacements. Towards this aim, lignocellulosic biomass suggested as a possible sustainable source for the manufacturing of fuels and produced chemicals. The aims of this paper are to investigate different kinds of β-O-4 lignin model compounds for the production of value-added chemicals in presence of ionic liquids. Especially, a cheap β-O-4 lignin model Guaiacol glycerol ether (GGE) (Guaifenesin) is introduced to produce valuable chemicals and novel products. Methods: Research related to chemical depolymerization of lignocellulosic biomass activity is reviewed, the notes from different methods such as thermal and microwave collected during at least 10 years. So, this collection provides a good source for academic research and it gives an efficient strategy for the manufacturing of novel value-added chemicals at an industrial scale. Results: This research presented that ionic liquid microwave-assisted is a power saving, cost efficient, fast reaction, and clean way with high selectively and purity for production of high value chemicals rather that conversional heating. Guaiacol and catechol are some of these valuable chemicals that is produced from β-O-4 lignin model compounds with high word demands that are capable to produce in industry scale. Conclusion: The β-O-4 lignin model compounds such as Guaiacol glycerol ether (GGE) (Guaifenesin) are good platform for developing food materials, perfumery, biorefinery, and pharmaceutical industry by ionic liquids-assisted lignin depolymerization method.

Insights into the electrochemical degradation of phenolic lignin model compounds in protic ionic liquid-water system

2021 ◽  
Author(s):  
Guangyong Liu ◽  
Qian Wang ◽  
Dongxia Yan ◽  
Yaqin Zhang ◽  
Chenlu Wang ◽  
...  
Keyword(s):  
Water System ◽  
Value Added ◽  
Electrochemical Degradation ◽  
Aryl Ether ◽  
Model Compounds ◽  
Protic Ionic Liquid ◽  
Lignin Model Compounds ◽  
Mild Conditions ◽  
System P ◽  
Lignin Model

Cleavage of aryl ether (Caryl-O) bonds is crucial for conversion and value-added utilization of lignin and its derivatives, but remains extremely challenging under mild conditions due to strong Caryl-O linkages....

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