{"title":"深入分析超低碳钢中氢脱氧的机理和反应效率","authors":"Ziyu Lyu, Chao Gu, Zhongliang Wang, Yanping Bao","doi":"10.1016/j.surfin.2024.105284","DOIUrl":null,"url":null,"abstract":"<div><div>The reaction mechanism and efficiency of hydrogen deoxidation used in ultra-low carbon steel are explored in this work. A combination of first-principle simulations and thermodynamic calculations were performed on the reaction mechanisms of hydrogen with dissolved oxygen. Laboratory thermal state experiments were used to analyze the effects of different initial oxygen contents of steel and different hydrogen injection flow rates on the deoxidation ability. The results show that the hydrogen deoxidation mainly happens with the gas state of H<sub>2</sub> since there are more reactive sites of H atoms in the gas bubble compared to the dissolved H. Higher initial oxygen content and larger hydrogen blowing flow rate are beneficial to the deoxidation reaction efficiency. With hydrogen deoxidation, the inclusion number can be reduced by half compared to Al deoxidation, and the finally total oxygen content can reach 6.8 × 10<sup>–6</sup>. The actual reaction hydrogen utilization efficiency fluctuates between 0.13 %-1.17 % in this study, which can be improved by extending the resistance time of H<sub>2</sub> bubbles in the molten steel. This paper provides in-depth theoretical support and atomic-scale insights into the reaction between hydrogen and oxygen in steel, building a foundation for the hydrogen application in the production of ultra-low-carbon steel.</div></div>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":null,"pages":null},"PeriodicalIF":8.3000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In-depth analysis on the mechanism and reaction efficiency of hydrogen deoxidation in ultra-low carbon steel\",\"authors\":\"Ziyu Lyu, Chao Gu, Zhongliang Wang, Yanping Bao\",\"doi\":\"10.1016/j.surfin.2024.105284\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The reaction mechanism and efficiency of hydrogen deoxidation used in ultra-low carbon steel are explored in this work. A combination of first-principle simulations and thermodynamic calculations were performed on the reaction mechanisms of hydrogen with dissolved oxygen. Laboratory thermal state experiments were used to analyze the effects of different initial oxygen contents of steel and different hydrogen injection flow rates on the deoxidation ability. The results show that the hydrogen deoxidation mainly happens with the gas state of H<sub>2</sub> since there are more reactive sites of H atoms in the gas bubble compared to the dissolved H. Higher initial oxygen content and larger hydrogen blowing flow rate are beneficial to the deoxidation reaction efficiency. With hydrogen deoxidation, the inclusion number can be reduced by half compared to Al deoxidation, and the finally total oxygen content can reach 6.8 × 10<sup>–6</sup>. The actual reaction hydrogen utilization efficiency fluctuates between 0.13 %-1.17 % in this study, which can be improved by extending the resistance time of H<sub>2</sub> bubbles in the molten steel. This paper provides in-depth theoretical support and atomic-scale insights into the reaction between hydrogen and oxygen in steel, building a foundation for the hydrogen application in the production of ultra-low-carbon steel.</div></div>\",\"PeriodicalId\":5,\"journal\":{\"name\":\"ACS Applied Materials & Interfaces\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.3000,\"publicationDate\":\"2024-10-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Applied Materials & Interfaces\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2468023024014408\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Materials & Interfaces","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468023024014408","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
本研究探讨了超低碳钢中使用的氢气脱氧反应机理和效率。对氢与溶解氧的反应机理进行了第一原理模拟和热力学计算相结合的研究。利用实验室热态实验分析了钢中不同初始氧含量和不同注氢流速对脱氧能力的影响。结果表明,氢气脱氧主要发生在 H2 的气态,因为与溶解的 H 相比,气泡中 H 原子的反应位点更多。氢气脱氧时,夹杂数比铝脱氧时减少一半,最终总氧含量可达 6.8 × 10-6。本研究的实际反应氢利用率在 0.13 %-1.17 % 之间波动,可通过延长 H2 气泡在钢水中的停留时间来提高氢利用率。本文为氢气和氧气在钢中的反应提供了深入的理论支持和原子尺度的见解,为氢气在超低碳钢生产中的应用奠定了基础。
In-depth analysis on the mechanism and reaction efficiency of hydrogen deoxidation in ultra-low carbon steel
The reaction mechanism and efficiency of hydrogen deoxidation used in ultra-low carbon steel are explored in this work. A combination of first-principle simulations and thermodynamic calculations were performed on the reaction mechanisms of hydrogen with dissolved oxygen. Laboratory thermal state experiments were used to analyze the effects of different initial oxygen contents of steel and different hydrogen injection flow rates on the deoxidation ability. The results show that the hydrogen deoxidation mainly happens with the gas state of H2 since there are more reactive sites of H atoms in the gas bubble compared to the dissolved H. Higher initial oxygen content and larger hydrogen blowing flow rate are beneficial to the deoxidation reaction efficiency. With hydrogen deoxidation, the inclusion number can be reduced by half compared to Al deoxidation, and the finally total oxygen content can reach 6.8 × 10–6. The actual reaction hydrogen utilization efficiency fluctuates between 0.13 %-1.17 % in this study, which can be improved by extending the resistance time of H2 bubbles in the molten steel. This paper provides in-depth theoretical support and atomic-scale insights into the reaction between hydrogen and oxygen in steel, building a foundation for the hydrogen application in the production of ultra-low-carbon steel.
期刊介绍:
ACS Applied Materials & Interfaces is a leading interdisciplinary journal that brings together chemists, engineers, physicists, and biologists to explore the development and utilization of newly-discovered materials and interfacial processes for specific applications. Our journal has experienced remarkable growth since its establishment in 2009, both in terms of the number of articles published and the impact of the research showcased. We are proud to foster a truly global community, with the majority of published articles originating from outside the United States, reflecting the rapid growth of applied research worldwide.