{"title":"低氧条件下褐煤中优势反应官能团的响应机制:相相微观结构与能量变化相结合的研究","authors":"Binrui Li, Mangu Hu, Hongqing Zhu, Houwang Wang, Linhao Xie, Tianyu Li, Saiyi Gao, Baolin Qu","doi":"10.1016/j.fuel.2025.137113","DOIUrl":null,"url":null,"abstract":"<div><div>High moisture and volatile of lignite make it easy to spontaneous combustion. It is important to study energy changes and phased microstructural in oxidation process for prevention and control of coal fire. Therefore, by analyzing the characteristics of lignite microstructure, combined with Pearson correlation analysis, this study investigates the influence of hypoxic conditions on low-temperature oxidation characteristics of lignite, and phased mechanism of groups. The results indicate that during dehydration and degassing stage, lignite surface exhibits a granular structure. The activation energy exhibits significantly increased sensitivity to O<sub>2</sub> concentration. The reduction in O<sub>2</sub> concentration intensifies the self-reaction of groups and restricts the chemisorption between lignite and oxygen. During dynamic equilibrium stage, a scale-like structure forms on the lignite surface. The high-temperature effect expands the reaction pathways of groups, while hypoxic condition suppresses the formation of active structures and volatile. Correlation analysis reveals that –OH and –CH<sub>2</sub>/CH<sub>3</sub> are the primary heat-producing groups, and –CHO and –COOH are the primary heat-absorbing groups. When O<sub>2</sub> concentration rises from 5 % to 21 %, the main reaction groups of low-temperature oxidation are –CH<sub>2</sub>/CH<sub>3</sub> → –OH → –CH<sub>2</sub>/CH<sub>3</sub>. Furthermore, hypoxic condition inhibits the reactions of –OH and –COOH, while exerting minimal influence on –CHO and –CH<sub>2</sub>/CH<sub>3</sub>.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137113"},"PeriodicalIF":7.5000,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Response mechanism of dominant reactive functional groups in lignite under hypoxic conditions: a study combining phased microstructural and energy changes\",\"authors\":\"Binrui Li, Mangu Hu, Hongqing Zhu, Houwang Wang, Linhao Xie, Tianyu Li, Saiyi Gao, Baolin Qu\",\"doi\":\"10.1016/j.fuel.2025.137113\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>High moisture and volatile of lignite make it easy to spontaneous combustion. It is important to study energy changes and phased microstructural in oxidation process for prevention and control of coal fire. Therefore, by analyzing the characteristics of lignite microstructure, combined with Pearson correlation analysis, this study investigates the influence of hypoxic conditions on low-temperature oxidation characteristics of lignite, and phased mechanism of groups. The results indicate that during dehydration and degassing stage, lignite surface exhibits a granular structure. The activation energy exhibits significantly increased sensitivity to O<sub>2</sub> concentration. The reduction in O<sub>2</sub> concentration intensifies the self-reaction of groups and restricts the chemisorption between lignite and oxygen. During dynamic equilibrium stage, a scale-like structure forms on the lignite surface. The high-temperature effect expands the reaction pathways of groups, while hypoxic condition suppresses the formation of active structures and volatile. Correlation analysis reveals that –OH and –CH<sub>2</sub>/CH<sub>3</sub> are the primary heat-producing groups, and –CHO and –COOH are the primary heat-absorbing groups. When O<sub>2</sub> concentration rises from 5 % to 21 %, the main reaction groups of low-temperature oxidation are –CH<sub>2</sub>/CH<sub>3</sub> → –OH → –CH<sub>2</sub>/CH<sub>3</sub>. Furthermore, hypoxic condition inhibits the reactions of –OH and –COOH, while exerting minimal influence on –CHO and –CH<sub>2</sub>/CH<sub>3</sub>.</div></div>\",\"PeriodicalId\":325,\"journal\":{\"name\":\"Fuel\",\"volume\":\"406 \",\"pages\":\"Article 137113\"},\"PeriodicalIF\":7.5000,\"publicationDate\":\"2025-10-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fuel\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0016236125028388\",\"RegionNum\":1,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENERGY & FUELS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fuel","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0016236125028388","RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
Response mechanism of dominant reactive functional groups in lignite under hypoxic conditions: a study combining phased microstructural and energy changes
High moisture and volatile of lignite make it easy to spontaneous combustion. It is important to study energy changes and phased microstructural in oxidation process for prevention and control of coal fire. Therefore, by analyzing the characteristics of lignite microstructure, combined with Pearson correlation analysis, this study investigates the influence of hypoxic conditions on low-temperature oxidation characteristics of lignite, and phased mechanism of groups. The results indicate that during dehydration and degassing stage, lignite surface exhibits a granular structure. The activation energy exhibits significantly increased sensitivity to O2 concentration. The reduction in O2 concentration intensifies the self-reaction of groups and restricts the chemisorption between lignite and oxygen. During dynamic equilibrium stage, a scale-like structure forms on the lignite surface. The high-temperature effect expands the reaction pathways of groups, while hypoxic condition suppresses the formation of active structures and volatile. Correlation analysis reveals that –OH and –CH2/CH3 are the primary heat-producing groups, and –CHO and –COOH are the primary heat-absorbing groups. When O2 concentration rises from 5 % to 21 %, the main reaction groups of low-temperature oxidation are –CH2/CH3 → –OH → –CH2/CH3. Furthermore, hypoxic condition inhibits the reactions of –OH and –COOH, while exerting minimal influence on –CHO and –CH2/CH3.
期刊介绍:
The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.