Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

Research output: NRELPresentation


We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.
Original languageAmerican English
Number of pages17
StatePublished - 2022

Publication series

NamePresented at the American Chemical Society Fall Meeting, 21-25 August 2022, Chicago, Illinois

NREL Publication Number

  • NREL/PR-2C00-83698


  • adaptive meshing
  • catalysis
  • computational fluid dynamics
  • high performance computing


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