2019
DOI: 10.1007/s00894-019-4136-y
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The reaction pathway analysis of phosphoric acid with the active radicals: a new insight of the fire-extinguishing mechanism of ABC dry powder

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Cited by 24 publications
(6 citation statements)
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“…The use of phosphonic acids in fuel cell systems for radical scavenging is intriguing, and so is the mechanism of their action. In accordance with the density functional theory (DFT) investigation of reaction pathways for phosphoric acid in the presence of different radicals, 26 three pathways are possible (Fig. 4a).…”
supporting
confidence: 73%
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“…The use of phosphonic acids in fuel cell systems for radical scavenging is intriguing, and so is the mechanism of their action. In accordance with the density functional theory (DFT) investigation of reaction pathways for phosphoric acid in the presence of different radicals, 26 three pathways are possible (Fig. 4a).…”
supporting
confidence: 73%
“…Primary sources of the hydroxyl radical (HO˙) are slow homolysis of H 2 O 2 (H 2 O 2 → 2HO˙) and the Fenton reaction (Fe 2+ + H 2 O 2 ˙ + H + → Fe 3+ + HO˙ + H 2 O). The hydroxyl radicals can react with phosphonic acids to produce phosphonate radicals 26 (Path 1). The DFT calculations based on the Vienna ab initio simulation package (VASP) 27,28 indicate that the activation energy of Path 1 is low (0.65 eV) (Fig.…”
mentioning
confidence: 99%
“…Combining the results of the previous study, Figure 2 schematically demonstrates the possible fire suppression mechanism of ADP. 1 It can be theoretically demonstrated from the kinetic and thermodynamic analysis of all the reaction pathways that the chemical inhibition of ADP plays a leading role in extinguishing the fire.…”
Section: Extinguishing Mechanism Of Capmentioning
confidence: 99%
“…The performance test followed a fire-extinguishing method of the Fire Rating 4A according to Standard EN 3 (British Standard, 2004). 1 The test results are shown in Table 1.…”
Section: Wooden Crib Fire Tests (Class A)mentioning
confidence: 99%
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