Oxidative pyrolysis of alkali lignin using nitrogen functionalized graphene oxide-cerium oxide nanocatalysts: Mechanistic insights thorough density functional theory
Language English Country England, Great Britain Media print-electronic
Document type Journal Article
PubMed
39681274
DOI
10.1016/j.biortech.2024.131985
PII: S0960-8524(24)01689-4
Knihovny.cz E-resources
- Keywords
- Alkali lignin, Cerium oxide, Density functional theory, Functionalized graphene oxide, Pyrolysis,
- MeSH
- Alkalies * chemistry MeSH
- Cerium * chemistry MeSH
- Nitrogen * chemistry MeSH
- Graphite * chemistry MeSH
- Catalysis MeSH
- Kinetics MeSH
- Lignin * chemistry MeSH
- Plant Oils MeSH
- Oxidation-Reduction MeSH
- Gas Chromatography-Mass Spectrometry MeSH
- Polyphenols MeSH
- Pyrolysis * MeSH
- Density Functional Theory MeSH
- Publication type
- Journal Article MeSH
- Names of Substances
- Alkalies * MeSH
- Bio-Oil MeSH Browser
- Cerium * MeSH
- ceric oxide MeSH Browser
- Nitrogen * MeSH
- Graphite * MeSH
- graphene oxide MeSH Browser
- Lignin * MeSH
- Plant Oils MeSH
- Polyphenols MeSH
In this study, a functionalized graphene oxide-cerium oxide nanocatalysts (FGCe) with varying graphene oxide (GO) contents were prepared using an in-situ reflux method. The prepared nanocatalysts showcased improvement in the crystallinity and BET surface area values with increasing GO contents. The efficacies of prepared catalysts were investigated towards oxidative pyrolysis of alkali lignin in an ethanol-water system. Among various nanocatalyst samples, the best lignin conversion (93 %) and bio-oil yield (86 %) were achieved using 50 mg FGCe nanocatalyst (0.5 wt% GO) at 423 K and 60 min. GC-MS and 1HNMR analyses were used to identify significant lignin conversion products, including 2-pentanone-4-hydroxy-4-methyl, 2-methoxyphenol, nonylcyclopropane, vanillin, apocynin, homovanollic acid, and benzoic acid. Kinetic studies revealed that the activation energy for lignin conversion was 24.36 kJ/mol at 423 K. Mechanistic investigations by density functional theory analysis revealed that the lignin breakdown occurred at oxygen bonds producing aromatic.
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