The overall objective of this program is the development of computer-aided reactor engineering technology for the design, scale up, simulation, control and feedstock evaluation in advanced coal conversion devices. Current computer-aided reactor engineering technology has shown significant potential, but there is a need to bring the technology to a higher level of generality, accuracy and acceptability. This program will merge significant advances made at Advanced Fuel Research, Inc. (AFR) in predicting coal conversion behavior, with technology being developed at Brigham Young University (BYU) in comprehensive computer codes for mechanistic modeling of entrained-bed gasification. The foundation to describe coal-specific conversion behavior will be AFR's Functional Group (FG) and Devolatilization, Vaporization, and Crosslinking (DVC) models, developed under previous and on-going METC sponsored programs. These models have demonstrated the capability to describe the time dependent evolution of individual gas species, and the amount and characteristics of tar and char. The FG/DVC models will be integrated with BYU's comprehensive two-dimensional reactor model, PCGC-2, which is currently the most widely used reactor simulation for combustion or gasification. The program includes: (1) validation of the submodels by comparison with laboratory data obtained in this program, (2) extensive validation of the modified comprehensive code by comparison of predicted results with data from bench-scale and process scale investigations of gasification, mild gasification and combustion of coal or coal-derived products in heat engines.