Project Grant 2417921

Award Date 8/15/25
Completion Date 7/31/26
Dollars Obligated $250K
Funding Federal Agency
National Science Foundation
Awarding Federal Agency
Division of Materials Research
Federal Grant Program
47.049
Assistance Type
Project Grant
Place of Performance
Denton, TX 76204, USA
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  1. Screening over 100 representative MOFs against various linear and cyclic siloxanes using computational simulations to identify promising adsorbent candidates.
  2. Studying the adsorption mechanisms of the identified MOFs through density functional theory computations to understand the molecular-level interactions between the MOFs and siloxanes.
  3. Leveraging machine learning classification algorithms to uncover structure-performance relationships within MOFs, enabling prediction of optimal adsorbents for removing multiple siloxanes in water treatment.

This research aims to establish a reliable and automated method for discovering adsorbents capable of effectively removing a variety of water pollutants, addressing critical global water scarcity challenges. The project also provides research training opportunities for students, particularly from underrepresented minority groups, to foster diversity and inclusion in STEM fields. The award was granted on August 15, 2025 with a target completion date of July 31, 2026.

Generated 5/13/25, 2:32 AM