{"title":"Investigating the transformation relationships and key parameters influencing explosion characteristics","authors":"Qiang Guo , Jie Liu , Wenkai Liang","doi":"10.1016/j.ces.2025.121768","DOIUrl":null,"url":null,"abstract":"<div><div>The auto-ignition delay times (IDT) and explosion limits (EL) are two important parameters describing the chemical reactivity of fuels, but their relationship has not been clearly revealed. The IDT and EL curves for a specific fuel only contain three parameters: residence (or ignition) time, pressure, and temperature, so their relationship can be revealed through these parameters. Specifically, the explosion limit curve can be obtained by collecting the intersection <em>P</em>-<em>T</em> state of the constant ignition time line with the ignition delay curves under different pressures on the IDT diagram—and vice versa. The ignition delay curves of H<sub>2</sub>, methane, ethane, and propane with flattened Z-shaped, approximate linear shape, ZTC (zero temperature coefficient), and NTC (negative temperature coefficient) responses are successfully converted to explosion limit curves with typical Z-shaped, approximate linear shape, ZTC, and NTC responses using this conversion method, respectively. Furthermore, as the equivalency ratio rises, the IDT and EL curves of H<sub>2</sub> rotate counterclockwise around an anchor point, as the first and third explosion limits of H<sub>2</sub>-O<sub>2</sub> are influenced by the concentration of O<sub>2</sub> and H<sub>2</sub>, respectively. For the C<sub>3</sub>H<sub>8</sub>-O<sub>2</sub> mixture, a higher equivalence ratio enhances fuel-involved reactions, resulting in a shift of the IDT and EL curves toward lower IDTs and lower pressure regimes. Moreover, the addition of N<sub>2</sub> lowers fuel and O<sub>2</sub> concentrations, reducing overall reactivity. The proposed transformation relationship between IDT and EL curves exhibits universality across fuels, enabling direct derivation of pressure–temperature EL data from IDT diagrams and vice versa.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121768"},"PeriodicalIF":4.3000,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Science","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009250925005913","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The auto-ignition delay times (IDT) and explosion limits (EL) are two important parameters describing the chemical reactivity of fuels, but their relationship has not been clearly revealed. The IDT and EL curves for a specific fuel only contain three parameters: residence (or ignition) time, pressure, and temperature, so their relationship can be revealed through these parameters. Specifically, the explosion limit curve can be obtained by collecting the intersection P-T state of the constant ignition time line with the ignition delay curves under different pressures on the IDT diagram—and vice versa. The ignition delay curves of H2, methane, ethane, and propane with flattened Z-shaped, approximate linear shape, ZTC (zero temperature coefficient), and NTC (negative temperature coefficient) responses are successfully converted to explosion limit curves with typical Z-shaped, approximate linear shape, ZTC, and NTC responses using this conversion method, respectively. Furthermore, as the equivalency ratio rises, the IDT and EL curves of H2 rotate counterclockwise around an anchor point, as the first and third explosion limits of H2-O2 are influenced by the concentration of O2 and H2, respectively. For the C3H8-O2 mixture, a higher equivalence ratio enhances fuel-involved reactions, resulting in a shift of the IDT and EL curves toward lower IDTs and lower pressure regimes. Moreover, the addition of N2 lowers fuel and O2 concentrations, reducing overall reactivity. The proposed transformation relationship between IDT and EL curves exhibits universality across fuels, enabling direct derivation of pressure–temperature EL data from IDT diagrams and vice versa.
期刊介绍:
Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline.
Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.