Volatilisation and catalytic effects of alkali and alkaline earth metallic species during the pyrolysis and gasification of Victorian brown coal. Part VII. Raman spectroscopic study on the changes in char structure during the catalytic gasification in air

Xiaojiang Li, Hayashi Jun-Ichiro, Chun Zhu Li

Research output: Contribution to journalArticle

149 Citations (Scopus)

Abstract

FT-IR/Raman spectroscopies have been used to identify the structural features of Victorian brown coal chars during the gasification in air at 400 °C. The deconvolution of the Raman spectra has allowed us to identify the main structural sites in char where preferential reaction with O2 takes place. The presence of Na and Ca catalysts is shown to alter the reaction pathways between char and O2. In the absence of a catalyst, the O-containing functional groups formed in char during gasification were closely associated with the aromatic structure and thus tended to loosen the aromatic structure. The non-catalysed gasification was slow and took place on some specific (especially sp3-rich or sp2-sp3 mixture) sites distributed throughout the char. In the presence of a catalyst (Na or Ca), the O-containing functional groups were not closely associated with the main aromatic structure throughout the char. The catalytic gasification reactions were localised on the sites associated with the catalysts. The preferential removal of smaller aromatic ring systems and the persistence of cross-linking structures in the presence of a catalyst mean that the large aromatic ring systems were increasingly concentrated with little flexibility, affecting the dispersion of catalyst.

Original languageEnglish
Pages (from-to)1509-1517
Number of pages9
JournalFuel
Volume85
Issue number10-11
DOIs
Publication statusPublished - Jul 1 2006
Externally publishedYes

Fingerprint

Coal
Alkalies
Lignite
Vaporization
Gasification
Pyrolysis
Earth (planet)
Catalysts
Air
Functional groups
Deconvolution
Raman spectroscopy
Raman scattering
Infrared spectroscopy

All Science Journal Classification (ASJC) codes

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

Cite this

@article{bc5c41204e9348b1a22f4a12f9b62920,
title = "Volatilisation and catalytic effects of alkali and alkaline earth metallic species during the pyrolysis and gasification of Victorian brown coal. Part VII. Raman spectroscopic study on the changes in char structure during the catalytic gasification in air",
abstract = "FT-IR/Raman spectroscopies have been used to identify the structural features of Victorian brown coal chars during the gasification in air at 400 °C. The deconvolution of the Raman spectra has allowed us to identify the main structural sites in char where preferential reaction with O2 takes place. The presence of Na and Ca catalysts is shown to alter the reaction pathways between char and O2. In the absence of a catalyst, the O-containing functional groups formed in char during gasification were closely associated with the aromatic structure and thus tended to loosen the aromatic structure. The non-catalysed gasification was slow and took place on some specific (especially sp3-rich or sp2-sp3 mixture) sites distributed throughout the char. In the presence of a catalyst (Na or Ca), the O-containing functional groups were not closely associated with the main aromatic structure throughout the char. The catalytic gasification reactions were localised on the sites associated with the catalysts. The preferential removal of smaller aromatic ring systems and the persistence of cross-linking structures in the presence of a catalyst mean that the large aromatic ring systems were increasingly concentrated with little flexibility, affecting the dispersion of catalyst.",
author = "Xiaojiang Li and Hayashi Jun-Ichiro and Li, {Chun Zhu}",
year = "2006",
month = "7",
day = "1",
doi = "10.1016/j.fuel.2006.01.011",
language = "English",
volume = "85",
pages = "1509--1517",
journal = "Fuel",
issn = "0016-2361",
publisher = "Elsevier BV",
number = "10-11",

}

TY - JOUR

T1 - Volatilisation and catalytic effects of alkali and alkaline earth metallic species during the pyrolysis and gasification of Victorian brown coal. Part VII. Raman spectroscopic study on the changes in char structure during the catalytic gasification in air

AU - Li, Xiaojiang

AU - Jun-Ichiro, Hayashi

AU - Li, Chun Zhu

PY - 2006/7/1

Y1 - 2006/7/1

N2 - FT-IR/Raman spectroscopies have been used to identify the structural features of Victorian brown coal chars during the gasification in air at 400 °C. The deconvolution of the Raman spectra has allowed us to identify the main structural sites in char where preferential reaction with O2 takes place. The presence of Na and Ca catalysts is shown to alter the reaction pathways between char and O2. In the absence of a catalyst, the O-containing functional groups formed in char during gasification were closely associated with the aromatic structure and thus tended to loosen the aromatic structure. The non-catalysed gasification was slow and took place on some specific (especially sp3-rich or sp2-sp3 mixture) sites distributed throughout the char. In the presence of a catalyst (Na or Ca), the O-containing functional groups were not closely associated with the main aromatic structure throughout the char. The catalytic gasification reactions were localised on the sites associated with the catalysts. The preferential removal of smaller aromatic ring systems and the persistence of cross-linking structures in the presence of a catalyst mean that the large aromatic ring systems were increasingly concentrated with little flexibility, affecting the dispersion of catalyst.

AB - FT-IR/Raman spectroscopies have been used to identify the structural features of Victorian brown coal chars during the gasification in air at 400 °C. The deconvolution of the Raman spectra has allowed us to identify the main structural sites in char where preferential reaction with O2 takes place. The presence of Na and Ca catalysts is shown to alter the reaction pathways between char and O2. In the absence of a catalyst, the O-containing functional groups formed in char during gasification were closely associated with the aromatic structure and thus tended to loosen the aromatic structure. The non-catalysed gasification was slow and took place on some specific (especially sp3-rich or sp2-sp3 mixture) sites distributed throughout the char. In the presence of a catalyst (Na or Ca), the O-containing functional groups were not closely associated with the main aromatic structure throughout the char. The catalytic gasification reactions were localised on the sites associated with the catalysts. The preferential removal of smaller aromatic ring systems and the persistence of cross-linking structures in the presence of a catalyst mean that the large aromatic ring systems were increasingly concentrated with little flexibility, affecting the dispersion of catalyst.

UR - http://www.scopus.com/inward/record.url?scp=33645366152&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33645366152&partnerID=8YFLogxK

U2 - 10.1016/j.fuel.2006.01.011

DO - 10.1016/j.fuel.2006.01.011

M3 - Article

VL - 85

SP - 1509

EP - 1517

JO - Fuel

JF - Fuel

SN - 0016-2361

IS - 10-11

ER -