Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Март 18, 2025

Abstract Effective plastic management is crucial in addressing the growing environmental challenges posed by pollution. Among various plastics, polyoxymethylene (POM) stands out as a widely used engineering thermoplastic with significant applications industries . Innovative recycling solutions are essential to mitigate its impact. This study investigates supercritical water gasification (SCWG) of POM plastics at molecular level using reactive dynamics simulations. The research aims provide insights into factors influencing SCWG process. Key findings reveal that temperature significantly affects reaction mechanisms, while primary syngas products include hydrogen , carbon monoxide, and dioxide. A notable trend observed increase activation energy content increases, highlighting importance optimizing hydration levels for efficient conversion. calculated energies range from 106 135 kJ/mol, aligning well experimental (160 kJ/mol). validates computational approach demonstrating excellent agreement between simulation results on molar fraction gas energy, underscoring reliability predictive tool process design optimization. Furthermore, contributes sustainable waste offering strategies enhance efficiency.

Язык: Английский