Publisher

University of Tennessee at Chattanooga

Place of Publication

Chattanooga (Tenn.)

Abstract

We present our efforts to computationally investigate methodologies and material designs capable of leveraging breakthroughs in material synthesis. Micro-porous adsorbents have found incorporation into a wide range of industrial processes. Our area of investigation is atmospheric water extraction (AWE). A key design hurdle in AWE is optimizing sorbent/substrate networks for increased vapor uptake while mitigating rate limiting enthalpies. The developed optimization framework utilizes dolfin-adjoint to solve a coupled adsorption FEM script by iteratively evaluating a function of interest and its gradient at different points. The function of interest is the distribution of a phase change material homogenously imbedded in the sorbent/substrate optimized to limit the swings in temperature exhibited by the composite thereby increasing uptake/release cycling.

Document Type

posters

Language

English

Rights

http://rightsstatements.org/vocab/InC/1.0/

License

http://creativecommons.org/licenses/by/4.0/

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Next Generation Adsorbent Composites: Material Discovery by way of Artificial Neural Networks informed by Finite Element Analysis

We present our efforts to computationally investigate methodologies and material designs capable of leveraging breakthroughs in material synthesis. Micro-porous adsorbents have found incorporation into a wide range of industrial processes. Our area of investigation is atmospheric water extraction (AWE). A key design hurdle in AWE is optimizing sorbent/substrate networks for increased vapor uptake while mitigating rate limiting enthalpies. The developed optimization framework utilizes dolfin-adjoint to solve a coupled adsorption FEM script by iteratively evaluating a function of interest and its gradient at different points. The function of interest is the distribution of a phase change material homogenously imbedded in the sorbent/substrate optimized to limit the swings in temperature exhibited by the composite thereby increasing uptake/release cycling.