The objectives of this project are to support the DOE direct coal liquefaction process development program and to improve the useful application of analytical chemistry to direct coal liquefaction process development. Independent analyses by well-established methods will be obtained of samples...

A long-standing goal of chemical engineers and chemists has been the development of techniques for accurate prediction of the thermodynamic properties of isolated molecules. The thermochemical functions for an ideal gas then provide a means of computing chemical equilibria, and such computations...

The lattice Boltzmann (LB) method was used to simulate hydrodynamics and mass transfer, with reaction, in a 3D packed bed of porous catalyst particles. The current LB implementation enables particle Peclet numbers up to 108 to be readily simulated. Importantly we are able to easily and...