Microstructure of an industrial char by diffraction techniques and Reverse Monte Carlo modelling

Tim Petersen, Irene Yarovsky, Ian Snook, Dougal Gordon McCulloch, George Opletal

Research output: Contribution to journalArticleResearchpeer-review

57 Citations (Scopus)

Abstract

The disordered microstructure of an industrial carbonaceous char has been characterised using X-ray, neutron and electron diffraction techniques to obtain pair correlation functions. Whilst consistency has been observed between all three techniques, electron diffraction has been found to have advantages by allowing data to be collected over a large range of scattering angles as well as without interference from crystalline regions within the char. Based on the experimentally obtained pair correlation functions, Hybrid Reverse Monte Carlo (HRMC) simulations have also been performed to generate experimentally consistent nanoscale models of the disordered carbonaceous char. The model char structures comprise disordered and buckled graphitic sheets containing a small percentage of interstitial diamond-like atoms between the sheets.

Original languageEnglish
Pages (from-to)2457-2469
Number of pages13
JournalCarbon
Volume42
Issue number12-13
DOIs
Publication statusPublished - 2004
Externally publishedYes

Keywords

  • A. Electron diffraction
  • B. X-ray diffraction
  • C. Neutron scattering
  • D. Coal, Microstructure

Cite this