Detailed chemical kinetic modelling of vapour-phase cracking of multi-component molecular mixtures derived from the fast pyrolysis of cellulose

Koyo Norinaga, Tetsuya Shoji, Shinji Kudo, Jun Ichiro Hayashi

Research output: Contribution to journalArticle

52 Citations (Scopus)

Abstract

The kinetics of vapour-phase cracking of nascent volatiles generated from the fast pyrolysis of cellulose was studied both experimentally and numerically. A two-stage tubular reactor (TS-TR) was developed for evaluating the reaction kinetics of secondary vapour-phase cracking of cellulose while minimising volatile-char interactions. The TS-TR was divided by a filter into two zones, one for the rapid pyrolysis of cellulose and the other one located downstream for the secondary pyrolysis of the nascent volatiles in the gas phase. Variations in gas compositions during secondary pyrolysis were monitored at a residence time of up to 6 s and a temperature ranging from 973 to 1073 K. These experiments were numerically simulated using a detailed chemical kinetic model that comprises more than 500 species and around 8000 elementary step-like reactions. Exhaustive comparisons between experimental data and numerical predictions were conducted for more than 20 species to critically evaluate the kinetic model. The model predictions generally agreed for the experimental concentration profiles of major species such as H2, CO, CO 2, CH4, and C2H4. Agreements for minor products such as acetaldehyde, acetic acid, acetone, hydroxyl acetone, furan, benzene, and toluene were fair, though further efforts are needed to improve predictions for concentration profiles of compounds such as methanol and C3 hydrocarbons. Reaction pathway analysis was also conducted for first aromatic species such as benzene in order to assess mechanistically how tarry materials (i.e., aromatic hydrocarbons) are generated from cellulose, which is originally free of aromatic structures.

Original languageEnglish
Pages (from-to)141-150
Number of pages10
JournalFuel
Volume103
DOIs
Publication statusPublished - Jan 1 2013

Fingerprint

Reaction kinetics
Cellulose
Pyrolysis
Vapors
Carbon Monoxide
Acetone
Benzene
Gases
Aromatic Hydrocarbons
Kinetics
Acetaldehyde
Aromatic hydrocarbons
Toluene
Hydrocarbons
Acetic acid
Acetic Acid
Hydroxyl Radical
Methanol
Chemical analysis
Experiments

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Organic Chemistry

Cite this

Detailed chemical kinetic modelling of vapour-phase cracking of multi-component molecular mixtures derived from the fast pyrolysis of cellulose. / Norinaga, Koyo; Shoji, Tetsuya; Kudo, Shinji; Hayashi, Jun Ichiro.

In: Fuel, Vol. 103, 01.01.2013, p. 141-150.

Research output: Contribution to journalArticle

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