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

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.