ReaxFF molecular dynamics studies on the impact of reaction conditions in polystyrene conversion through hydrothermal gasification

Microplastics, particularly polystyrene (PS), are significant environmental pollutants due to their persistence and harmful effects on ecosystems and health. To address this issue, we explored hydrothermal gasification (HTG) as a novel approach for PS degradation using molecular dynamics simulations...

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Bibliographic Details
Main Authors: Thi Be Ta Truong, Do Tuong Ha, Hien Duy Tong, Thuat T. Trinh
Format: Article
Language:English
Published: Elsevier 2025-05-01
Series:Chemical Engineering Journal Advances
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Online Access:http://www.sciencedirect.com/science/article/pii/S2666821125000134
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