A novel design method for NiCr coating against supercritical CO2 via the ReaxFF molecular dynamics theoretical analysis and experimental verification

IF 3.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Journal of Supercritical Fluids Pub Date : 2024-05-17 DOI:10.1016/j.supflu.2024.106315
Tingshan Guo, Zhiyuan Liang, Qinxin Zhao
{"title":"A novel design method for NiCr coating against supercritical CO2 via the ReaxFF molecular dynamics theoretical analysis and experimental verification","authors":"Tingshan Guo,&nbsp;Zhiyuan Liang,&nbsp;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}
引用次数: 0

Abstract

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.

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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
为了设计出耐腐蚀性最强的镍铬涂层,采用分子动力学方法研究了镍、镍10Cr和镍20Cr涂层的腐蚀行为,其中镍20Cr涂层表现出最佳的耐腐蚀性。在 650 ℃、15 MPa 的超临界 CO2 中,通过腐蚀试验研究了带或不带 Ni20Cr 涂层的 Fe9Cr 耐热钢在 1000 h 内的腐蚀行为,大大缩短了实验周期和成本。暴露 1000 小时后,Ni20Cr 镀层完整均匀。镍 20Cr 镀层上能迅速形成致密、连续的富铬氧化膜,且生长应力较低。Ni20Cr 镀层能有效提高 Fe9Cr 耐热钢的抗腐蚀和抗渗碳性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Journal of Supercritical Fluids
Journal of Supercritical Fluids 工程技术-工程:化工
CiteScore
7.60
自引率
10.30%
发文量
236
审稿时长
56 days
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.
期刊最新文献
Flow mechanism and back gap windage loss of a sCO2 radial inflow turbine with impeller scallops Supercritical CO2 assisted bioMOF drug encapsulation and functionalization for delivery with a synergetic therapeutic value Supercritical CO2 green solvent extraction of Nepeta crispa: Evaluation of process optimization, chemical analysis, and biological activity IFC Contents continued
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1