{"title":"通过 ReaxFF 分子动力学理论分析和实验验证的新型超临界二氧化碳镍铬涂层设计方法","authors":"Tingshan Guo, Zhiyuan Liang, Qinxin Zhao","doi":"10.1016/j.supflu.2024.106315","DOIUrl":null,"url":null,"abstract":"<div><p>In order to design a NiCr coating with the strongest corrosion resistance, the corrosion behavior of Ni, Ni10Cr and Ni20Cr coatings was studied using molecular dynamics, in which Ni20Cr coating exhibited the best corrosion resistance. The corrosion behavior of Fe9Cr heat-resistant steel with or without Ni20Cr coating in a supercritical CO<sub>2</sub> at 650 ℃ and 15 MPa for 1000 h was carried out by corrosion test, which significantly reduced the experimental period and cost. The Ni20Cr coating was intact and uniform after exposure for 1000 h. A dense and continuous Cr-rich oxide film with low growth stress could rapidly formed on the Ni20Cr coating. The Ni20Cr coating could effectively enhance the corrosion and carburization resistance of Fe9Cr heat-resistant steel.</p></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"211 ","pages":"Article 106315"},"PeriodicalIF":3.4000,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A novel design method for NiCr coating against supercritical CO2 via the ReaxFF molecular dynamics theoretical analysis and experimental verification\",\"authors\":\"Tingshan Guo, Zhiyuan Liang, Qinxin Zhao\",\"doi\":\"10.1016/j.supflu.2024.106315\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In order to design a NiCr coating with the strongest corrosion resistance, the corrosion behavior of Ni, Ni10Cr and Ni20Cr coatings was studied using molecular dynamics, in which Ni20Cr coating exhibited the best corrosion resistance. The corrosion behavior of Fe9Cr heat-resistant steel with or without Ni20Cr coating in a supercritical CO<sub>2</sub> at 650 ℃ and 15 MPa for 1000 h was carried out by corrosion test, which significantly reduced the experimental period and cost. The Ni20Cr coating was intact and uniform after exposure for 1000 h. A dense and continuous Cr-rich oxide film with low growth stress could rapidly formed on the Ni20Cr coating. The Ni20Cr coating could effectively enhance the corrosion and carburization resistance of Fe9Cr heat-resistant steel.</p></div>\",\"PeriodicalId\":17078,\"journal\":{\"name\":\"Journal of Supercritical Fluids\",\"volume\":\"211 \",\"pages\":\"Article 106315\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2024-05-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Supercritical Fluids\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0896844624001505\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Supercritical Fluids","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0896844624001505","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
A novel design method for NiCr coating against supercritical CO2 via the ReaxFF molecular dynamics theoretical analysis and experimental verification
In order to design a NiCr coating with the strongest corrosion resistance, the corrosion behavior of Ni, Ni10Cr and Ni20Cr coatings was studied using molecular dynamics, in which Ni20Cr coating exhibited the best corrosion resistance. The corrosion behavior of Fe9Cr heat-resistant steel with or without Ni20Cr coating in a supercritical CO2 at 650 ℃ and 15 MPa for 1000 h was carried out by corrosion test, which significantly reduced the experimental period and cost. The Ni20Cr coating was intact and uniform after exposure for 1000 h. A dense and continuous Cr-rich oxide film with low growth stress could rapidly formed on the Ni20Cr coating. The Ni20Cr coating could effectively enhance the corrosion and carburization resistance of Fe9Cr heat-resistant steel.
期刊介绍：
The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics.
Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.
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