Researchers at the Department of Energy's National Energy Technology Laboratory (NETL) have developed a unique software module that can couple with computational fluid dynamics (CFD) codes to model the complex chemical reactions that occur between coal particles and flowing gases during the coal gasification process.
The Carbonaceous Chemistry for Continuum Modeling (C3M) module provides unprecedented insight into the chemical kinetics and thermodynamics of a coal gasification unit, which could be invaluable to commercial plants attempting to design and optimize such technology.
C3M works in conjunction with a CFD code, such as NETL's Multiphase Flow with Interphase eXchanges (MFIX) software or the commercially available FLUENT platform. The CFD code calculates the basic physical and chemical properties of the system, such as temperature, pressure, velocity, and composition of the gases during the coal gasification process.
C3M uses this data to calculate rates and heats of reactions and mass transfer effects. Using visualization software, designers can view a movie showing how chemical species evolve with time throughout the reactor. This can reduce design time and avoid the expense of the build-and-test method. The C3M code has recently been applied to the design of an advanced hydrogasification process in collaboration with Arizona Public Service.
U.S. and international patents are pending on C3M. More info: Diane Newlon, roberta.newlon@netl.doe.gov, or www.netl.doe.gov.
