Goyal Research Group
Computational Fluid Dynamics (CFD) simulations of multiphase reactors
Most of the reactors in the chemical industries are multiphase, such as fluidized beds and fixed beds. These reactors also play a central role in emerging clean energy technologies. Our limited understanding of multiphase reactors and unavailability of design tools pose a significant hindrance in developing novel reactor designs. To this end, we combine detailed chemistry and particle-scale models with CFD allowing a clear understanding of how physical processes (fluid dynamics, heat and mass transfer) are coupled to the chemical transformation in multiphase reactors. The insights gained from CFD are used for designing optimal reactors for various applications.
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Target applications: carbon dioxide capture and utilization; biomass pyrolysis and gasification.
Machine learning models for multiphase reactors
CFD simulations of multiphase reactors provide detailed insights into the underlying physical and chemical processes but they are computationally expensive. To this end, we employ machine learning tools, such as neural networks and decision trees, to develop computationally fast models for multiphase reactors. There are two themes in this research area: (1) using machine learning to combine detailed chemistry with CFD simulations; (2) developing machine learning based reduced-order or surrogate models to predict reactor performance. This work provides an alternative to less-accurate empirical correlations that are heavily used in the chemical industries.
Electrification of chemical processes
Large-scale availability of renewable electricity (e.g., from wind and solar) allows a unique opportunity for the electrification of chemical processes and achieving process intensification. Microwaves, generated from electricity, can be used to heat chemical reactors as an alternative to fossil fuels. Moreover, unique characteristics of microwave heating (e.g., selective and rapid heating) provide an opportunity for process intensification. Another route to use electricity as the heating source is Joule heating, where electricity directly generates heat. Using multiphysics simulations, we develop novel reactor designs to achieve process intensification in microwave heated and Joule heated reactors.
Modeling of electrochemical cells
Electrochemical cells (e.g., batteries and electrolytic cells) are at the forefront of several existing and emerging technologies related to electricity generation and chemical conversion. For example, CO2 captured from flue gas can be converted into formic acid or syngas using electrochemical cells. The performance of these devices is linked to the coupling among various processes, such as electrode chemistry and mass transfer of species through membrane and electrolyte. We perform multiphysics simulations to better understand this coupling and optimize electrochemical cell design.
We acknowledge the generous support from our funding organizations and collaborators.
