The mechanism of hydrogen incorporation in coal liquefaction. Final report

The purpose of the research was to determine the detailed molecular mechanism for the introduction of hydrogen into coal when it is heated in an atmosphere of H{sub 2} in the absence of catalysts and to use this information as a baseline for the study of catalyzed processes. The plan was to study the reaction of model compounds with D{sub 2} in a glass-lined reactor of the authors` design and, by determining the distribution of D atoms in the reaction products, to deduce the reaction mechanism(s). As of the date of this report (Nov. 1995), the authors have, they believe conclusively, demonstrated the mechanism of the thermal process. They have studied several gas-phase reactions and, recently, have extended these to surface-immobilized models. The data are consistent in their support of the proposed sequence. Within the past year, they have begun to look at catalyzed hydrothermolysis and, while the work is at an early stage, they can draw a few significant conclusions, presented in the report