An Integrated Neutrino-AMReX framework for industry significant chemically reactive flows

The global flow chemistry market size was valued at USD 1.37 billion in 2020 and is estimated to grow at a compound annual growth rate of 10.2% from 2020 to 2028.Chemical reactors are a critical component in biofuel production, environmentally friendly plastics & waste processing and pharmaceuticals. With climate change being the forefront of the problems, we face in a modern world, there is an impending need for efficient and green technologies in the economy. The need for modern and state-of-the-art chemical reactors for seam- less operations is bringing great growth opportunities. With such a need for manufacturing efficient chemical reactors, computer-based simulations become a critical component in their design. The proposed implementation will integrate the existing commercial software Neutrino SPH with AMReX to ad- dress industry problems involving simulations of chemical reactors for process intensification and optimization. AMReX is an ASCR funded software library containing all the functionality to write massively parallel, block- structured Adaptive Mesh Refinement (AMR) and particle-based applications. Neutrino SPH is a commercial application, which uses the Smoothed Particle Hydrodynamics (SPH) method to solve a variety of industry problems. The proposed integration of AMReX with Neutrino SPH would leverage upon the state-of-the-art Graphical User Interface and Visualization frameworks NDYN and NVIS, for 3D modeling and 3D visualization whereby relevant industries could use complex 3D Computer Aided Design models directly. The resulting integrated tool would make it possible to setup and run simulations for a variety of reactor applications like stirred-tanks, bubble columns, fluidized bed and auger reactors significant to industry. Neutrino’s existing SPH solver will be improved by leveraging the High-Performance Computing (HPC) frame- work that is implemented within AMReX. Finally, a set of exhaustive validations will be performed to gain confidence for use by the industry. Industries involved with the production of biofuels, processing of bio-wastes & plastics, renewable energy and chemical engineering would benefit immensely by this product via predictive simulations that will address scale-up, optimization and process intensification. During Phase I we will also develop a complete go to market strategy for the Minimum Viable Product and estimate the total tangible and quantified market potential.