Model of coal pyrolysis. 1. Qualitative development

Abstract

Coal is represented as a collection of 14 functional groups including aromatic rings, aliphatic chains and bridges, and oxygen-carrying groups. A procedure is developed for determining the concentrations of these groups from elemental analysis and nuclear magnetic resonance data. The chemical changes taking place during pyrolysis are described by a set of elementary reactions selected on the bask of chemical theory and information from model compound studies. The kinetic parameters of these reactions are estimated using the methods of thermochemical kinetics. Product formation is discussed qualitatively in terms of the elementary reactions.

Additional details