一种用于液体燃料灭火的简易向日葵果胶泡沫及其增炭能力的 ReaxFF 表征

IF 10.7 1区 化学 Q1 CHEMISTRY, APPLIED Carbohydrate Polymers Pub Date : 2024-10-17 DOI:10.1016/j.carbpol.2024.122888
Chang Tian , Anthony Chun Yin Yuen , Jinlong Zhao , Timothy Bo Yuan Chen , Qian Chen , Ivan Miguel De Cachinho Cordeiro
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引用次数: 0

摘要

为提高泡沫剂在液体燃料火灾中的阻燃性能,合成了一种热稳定性和耐火性能优异的生物质泡沫灭火凝胶(FSGF)。以水成膜泡沫(AFFF)为基准,对 FSGF 的泡沫综合指数、微观结构、热稳定性、耐火性和灭火性能进行了评估。随后,对 FSGF 进行了反应力场(ReaxFF)分子动力学(MD)模拟,以研究其热动力学特性。实验结果表明,FSGF 外膜上的多孔层增强了泡沫的热稳定性。泡沫的胶凝机制是 O-Ca-O 键的形成。通过 MD 模拟发现,残留的氧化钙/氢氧化物沉积在燃料表面时,会通过脱水作用捕获 H/O 原子,从而促进炭的形成。另外,泡沫的热稳定性比 AFFF 更好,因为重量损失率更低,坍塌时间更长。灭火性能测试表明,FSGF 的灭火时间和阻燃时间分别为 72 秒和 801 秒,在抑制油罐火灾复燃方面具有显著潜力。
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A facile sunflower pectin gel foam for liquid fuel fire suppression with ReaxFF characterisation on its char-enhancing ability
A biomass fire suppression gel foam (FSGF) with outstanding thermal stability and fire resistance performance was synthesised to improve the flame retardancy of foam agents on liquid fuel fires. The foam comprehensive index, microstructure, thermal stability, fire resistance and extinguishing properties of the FSGF were benchmarked against aqueous film-forming foam (AFFF). Subsequently, reactive forcefield (ReaxFF) molecular dynamics (MD) simulations were performed on the FSGF to study the thermokinetic properties. Based on the experimental results, a porosity layer was found on the external film of FSGF, which enhanced the thermal stability of the foam. The gelling mechanism of the foam is the formation of an O–Ca–O bond. Through MD simulations it was discovered that the remained calcium oxide/hydroxide species when deposited on fuel surfaces would promote char formation as they capture H/O atoms via dehydration. Alternatively, the foam showed better thermal stability than that of AFFF due to a lower weight loss rate and longer collapse time. The extinguishing performance tests demonstrated that the fire extinguishing time and resistance time of FSGF respectively are 72 s and 801 s, showing a significant potential to suppress the re-ignition of tank fires.
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来源期刊
Carbohydrate Polymers
Carbohydrate Polymers 化学-高分子科学
CiteScore
22.40
自引率
8.00%
发文量
1286
审稿时长
47 days
期刊介绍: Carbohydrate Polymers stands as a prominent journal in the glycoscience field, dedicated to exploring and harnessing the potential of polysaccharides with applications spanning bioenergy, bioplastics, biomaterials, biorefining, chemistry, drug delivery, food, health, nanotechnology, packaging, paper, pharmaceuticals, medicine, oil recovery, textiles, tissue engineering, wood, and various aspects of glycoscience. The journal emphasizes the central role of well-characterized carbohydrate polymers, highlighting their significance as the primary focus rather than a peripheral topic. Each paper must prominently feature at least one named carbohydrate polymer, evident in both citation and title, with a commitment to innovative research that advances scientific knowledge.
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