发泡聚苯乙烯燃烧微观机理研究  

Combustion Mechanism of Expanded Polystyrene

作　　者：李斌 张师奇 王东明 Li Bin;Zhang Shiqi;Wang Dongming(School of Environmental and Chemical Engineering,Shenyang University of Technology,Liaoning,110159;College of Safety Science and Engineering,Liaoning Technical University,Liaoning,123000)

机构地区：[1]沈阳理工大学环境与化学工程学院,辽宁110159 [2]辽宁工程技术大学安全科学与工程学院,辽宁123000

出　　处：《当代化工研究》2025年第4期65-67,共3页Modern Chemical Research

基　　金：辽宁省教育厅基本科研项目“‘双碳’背景下煤层CO_(2)封存及瓦斯促抽技术研究”(项目编号:LJ212410144007)。

摘　　要：为了从微观层面揭示发泡聚苯乙烯(Expandable Polystyrene,EPS)的燃烧规律,为材料的阻燃改性提供科学依据,对EPS的燃烧机理进行了系统研究,通过机器学习分子模拟手段,从分子级层面探讨了燃烧过程中EPS的能量释放和燃烧产物演化规律。研究表明,燃烧初期体系势能出现短暂增加的趋势,然后快速降低。燃烧过程中体系内生成的CO_(2)数量最多,其次是H_(2)O,CO的生成量约为CO_(2)生成量的31.55%,燃烧体系内自由基的生成量排序为·H>·OH>·CHO>·HO_(2)。旨在为EPS的安全应用及火灾防护提供理论支持,同时为阻燃改性技术的发展提供参考。To reveal the combustion law of expanded polystyrene(EPS)from the microscopic level,and to provide a scientific basis for the flame-retardant modification of the material,this paper carries out a systematic study on the combustion mechanism of EPS,and explores the energy release and combustion product evolution law of EPS during the combustion process at the molecular level by means of molecular simulation with machine learning.The study shows that the potential energy of the system in the early stage of combustion shows a short increasing trend,and then decreases rapidly.During the combustion process,the largest amount of CO_(2) was generated in the system,followed by H_(2)O,and the amount of CO was about 31.55%of the CO_(2) generation,and the generation of free radicals in the combustion system was in the order of·H>·OH>·CHO>·HO_(2).The aim is to provide theoretical support for the safe application and fire protection of EPS,and at the same time,to provide a reference for the development of flame-retardant modification technology.

关 键 词：发泡聚苯乙烯 燃烧机理 机器学习 燃烧产物 

分 类 号：TQ325[化学工程—合成树脂塑料工业]