scholarly journals Reaction Pathways for the Deoxygenation of Biomass-Pyrolysis-Derived Bio-oil on Ru: A DFT Study using Furfural as a Model Compound

ChemCatChem ◽  
2017 ◽  
Vol 9 (14) ◽  
pp. 2828-2838 ◽  
Author(s):  
Arghya Banerjee ◽  
Samir H. Mushrif
Keyword(s):  
Model Compound ◽  
Dft Study ◽  
Reaction Pathways ◽  
Biomass Pyrolysis ◽  
Bio Oil

DFT study of bio-oil decomposition mechanism on a Co stepped surface: Acetic acid as a model compound

2015 ◽  
Vol 40 (1) ◽  
pp. 330-339 ◽  
Author(s):  
Xinbao Li ◽  
Shurong Wang ◽  
Yingying Zhu ◽  
Guohua Yang ◽  
Pengjun Zheng
Keyword(s):  
Acetic Acid ◽  
Model Compound ◽  
Decomposition Mechanism ◽  
Dft Study ◽  
Bio Oil ◽  
Stepped Surface

Molecular modelling approach to elucidate the thermal decomposition routes of vanillin

2017 ◽  
Vol 41 (17) ◽  
pp. 8845-8859 ◽  
Author(s):  
Anand Mohan Verma ◽  
Nanda Kishore
Keyword(s):  
Thermal Decomposition ◽  
Gas Phase ◽  
Molecular Modelling ◽  
Model Compound ◽  
Theoretical Study ◽  
Reaction Pathways ◽  
Competitive Reaction ◽  
Bio Oil ◽  
Solvation Models ◽  
Modelling Approach

Gas phase pyrolytic studies of vanillin, which is a promising model compound of lignin-derived bio-oil, were performed using the B3LYP/6-311+g(d,p) level of theory under the DFT framework. This theoretical study unravels and elucidates the competitive reaction pathways for the production of various products and their kinetics. The reaction kinetics are presented using both gas phase and solvation models.

Unravelling the catalytic influence of naturally occurring salts on biomass pyrolysis chemistry using glucose as a model compound: a combined experimental and DFT study

2019 ◽  
Vol 9 (13) ◽  
pp. 3504-3524 ◽  
Author(s):  
Jyotsna S. Arora ◽  
Khursheed B. Ansari ◽  
Jia Wei Chew ◽  
Paul J. Dauenhauer ◽  
Samir H. Mushrif
Keyword(s):  
Metal Ions ◽  
Alkaline Earth ◽  
Model Compound ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Biomass Pyrolysis ◽  
Oil Composition ◽  
Compound A ◽  
Naturally Occurring ◽  
Bio Oil

Alkali and alkaline-earth metal loaded biomass pyrolysis highlights that different metal ions have different effects on bio-oil composition.

Co-liquefaction of swine manure and crude glycerol to bio-oil: Model compound studies and reaction pathways

2012 ◽  
Vol 104 ◽  
pp. 783-787 ◽  
Author(s):  
Zhangying Ye ◽  
Shuangning Xiu ◽  
Abolghasem Shahbazi ◽  
Songming Zhu
Keyword(s):  
Crude Glycerol ◽  
Model Compound ◽  
Swine Manure ◽  
Reaction Pathways ◽  
Bio Oil

Review on Aging of Bio-Oil from Biomass Pyrolysis and Strategy to Slowing Aging

2021 ◽  
Author(s):  
Junmeng Cai ◽  
Md. Maksudur Rahman ◽  
Shukai Zhang ◽  
Manobendro Sarker ◽  
Xingguang Zhang ◽  
...  
Keyword(s):  
Biomass Pyrolysis ◽  
Bio Oil
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