Gas phase conversion of eugenol into various hydrocarbons and platform chemicals

Abstract

The unprocessed bio-oil derived from pyrolysis of lignocellulosic biomass is a mixture of hundreds of oxy-compounds which vitiate the quality of bio-oil; therefore, it needs to be upgraded.

Exploiting CF Bond of Hexafluorocyclohexane and Decafluoroadamantane Systems to Capture Flue Gases: A Computational Study

“…Generally, the ion‐dipole interactions are much stronger than dipole neutral molecule interactions. All‐ cis 1,2,3,4,5,6‐hexafluorocyclohexane has studied at the B3LYP level of theory and also many DFT studies has been adopted by theoreticians ,. In this study, we have examined the dipole and neutral molecule interaction using 1 and flue gases.…”

Isomer-dependent catalytic pyrolysis mechanism of the lignin model compounds catechol, resorcinol and hydroquinone

“… 8 Verma and Kishore carried out density functional theory (DFT) calculations and showed that the lowest-energy unimolecular decomposition pathway of eugenol yields guaiacol. 9 Detailed mechanistic studies exist for benzaldehyde, 13 phenol, 14 dimethoxybenzenes 15 and larger model systems, such as 4-phenoxyphenol and 2-methoxy-phenoxybenzene. 16 …”

Hydrogenation of Lignin-Derived Phenolic Compound Eugenol over Ruthenium-Containing Nickel Hydrotalcite-Type Materials

“…Due to its low cost and high abundance, lignocellulosic biomasses are drawing worldwide attention as an alternative feedstock to fossil fuels. Lignocellulosic biomass consists of 40–50% cellulose (polysaccharide consisting of glucose units), 25–30% hemicellulose (heteropolymer of C 5 and C 6 sugars), and 10–25% lignin (aromatic polymer) with some minor components, such as nutrients, proteins, and wax (1–10%). − The structure of lignin is formed via oxidative coupling reactions of three different phenylpropane building blocks, including p -coumaryl, coniferyl, and sinapyl alcohols (Scheme ). Due to its complexity, lignin depolymerization and upgrade of corresponding monomers for the target compound production is significantly important.…”

“…Eugenol is the most promising model compound of phenolic fractions of lignocellulosic bio-oil derived by lignin pyrolysis (Scheme ). − , The importance of this molecule is that it consists of several key functional groups, including phenyl, hydroxyl, methoxy, and allyl groups, which are part of all of the three main constituents of lignin. ,,− The bio-oil produced by pyrolysis of lignin cannot be directly used as a transportation fuel as it contains a large number of oxy functional groups and has to be upgraded. Catalytic methods are used to reduce oxygen content and improve hydrogen/carbon ratios.…”