Performer: NETL Office of Research and Development

Project No: FWP-2012.03.03 Task 4


  • Uncertainty Quantification (UQ)
    Researchers completed coupling Lawrence Livermore National Lab (LLNL) PSUADE software and NETL’s MFIX model to allow non-intrusive UQ. UQ techniques were applied to small-scale non-reacting discrete element model (DEM) study and an oxygen-blown transport gasifier and used in NETL’s C3M to explore uncertainties in kinetic predictions based on temperature, pressure, and heating rate inputs.
  • TRIG model Development
    A new MFIX-PIC hydrodynamic model was developed, implemented in MFIX, and validated by comparing it with more accurate DEM simulations. Comparisons were also made with MFIX-EE (Eulerian-Eulerian) and Computational Particle Fluid Dynamics’ commercial Multi Phase Particle-in-Cell (MPPIC) solver, Barracuda. Documentation and a manuscript are being prepared. The latest version of NETL’s reacting multiphase model was released to the modeling community through the MFIX website (
  • Model Validation
    The experimental system has been set up to characterize the jetting behavior of a gas-solid mixture continuously injected into the side wall of the mixing zone of a transport reactor. A small-scale fluidized bed has been constructed to provide well controlled and highly instrumented laboratory experiments for model development, verification, and validation.
  • Cohesive Powder Model
    An algorithm that calculates the cluster size was implemented and released in MFIX. Clusters can now be visualized in Paraview and their size calculated along with other local flow properties (such as void fraction and Reynolds number). The effects of cohesive forces on fluidization were shown in several simulations that can capture minimum fluidization and bubbling velocities as well as the hysteresis in the fluidization curves.
  • Fundamental Gasification Code Development
    The devolatization subroutines from PC Coal Lab (PCCL), Chemical Percolation Model for Coal Devolatilization (CPD), and Functional-Group, Depolymerization, Vaporization, and Cross-linking (FG-DVC) were implemented in the C3M code and the first round of kinetic data for co-feeding was collected and incorporated. NETL licensed the C3M code for the first time to the Brazilian Associação Beneficente da Indústria Carbonifera de Santa Catarina (Coal Mining Industry Beneficent Corporation of Santa Catarina) (SATC) for the full term of the NETL patent. Negotiations are underway for a second license to KBR, Inc. An R&D 100 application was submitted on the basis of these significant accomplishments and a paper was published in the magazine Power Engineering. C3M was also used as a basis for the kinetics in a full-scale TRIG gasifier model for an industrial stakeholder.

Project Details
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