First-principles and experimental study on the inhibition efficiency of BTA for 20SiMn steel in chloride-containing solutions
文献类型：期刊论文
| 作者 | Cao, Fengting3; Gao, Guangyao3; Li, Jie3; Li, Tao2; He, Zequan3; Wang, Tiegang3; Liu, Yanmei3; Fan, Qixiang3; Ma, Hui1; Chen, Xing-qiu1 |
| 刊名 | MATERIALS LETTERS
 |
| 出版日期 | 2023-12-01 |
| 卷号 | 352页码:4 |
| 关键词 | Corrosion inhibitor BTA DOS Corrosion Chemisorption |
| ISSN号 | 0167-577X |
| DOI | 10.1016/j.matlet.2023.135164 |
| 通讯作者 | Cao, Fengting(ftcao_88@163.com) ; Ma, Hui(hma@imr.ac.cn) |
| 英文摘要 | The inhibition effect of benzotriazole (BTA) with the increase of concentration for 20SiMn steel in 3.5 wt% NaCl solutions was investigated by electrochemical methods, Scanning Electron Microscope (SEM), X-ray Photoelectron Spectroscopy (XPS) and Density Functional Theories(DFT). Results indicate that BTA could suppress the corrosion of 20SiMn steel through chemisorption but with a limited inhibition efficiency (around 60%). DFT calculated results show that the chemisorption of BTA has noticeable effects on the charge distribution of the whole BTA molecule, as well as that of N atom which bonds with Fe atom, but has little influence on those of Fe atom in N-Fe bond and Fe(1 1 0) surface where BTA molecules adsorb. The DFT calculated Density of States (DOS) peaks of N atom in N-Fe and those of BTA molecule become lower after the adsorption, and the location of DOS peaks move far away from the Femi surface, implying a more stable structure. As to Fe atom in N-Fe bond and Fe(1 1 0) surface, neither height nor locations of the DOS peaks change,which is crucial for losing electrons of metallic matrix and thus responsible for the limitation of BTA inhibition effect. |
| 资助项目 | Yunnan Fundamental Research Projects[202301BC070001-001] ; Research Development Foundation of Tianjin University of Technology and Education[KYQD202206] ; National Natural Science Foundation of China[51901228] ; National Science and Technology Major Project[J2019 -VI -0019- 0134] |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001074887300001 |
| 出版者 | ELSEVIER |
| 资助机构 | Yunnan Fundamental Research Projects ; Research Development Foundation of Tianjin University of Technology and Education ; National Natural Science Foundation of China ; National Science and Technology Major Project |
| 源URL | [http://ir.imr.ac.cn/handle/321006/179293]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Cao, Fengting; Ma, Hui |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci SYNL, Shenyang 110016, Peoples R China 2.Sinopec Tianjin Petrochem Equipment & Instrumentat, Tianjin 300271, Peoples R China 3.Tianjin Univ Technol & Educ, Sch Mech Engn, Tianjin Key Lab High Speed Cutting & Precis Machin, Tianjin 300222, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cao, Fengting,Gao, Guangyao,Li, Jie,et al. First-principles and experimental study on the inhibition efficiency of BTA for 20SiMn steel in chloride-containing solutions[J]. MATERIALS LETTERS,2023,352:4. |
| APA | Cao, Fengting.,Gao, Guangyao.,Li, Jie.,Li, Tao.,He, Zequan.,...&Chen, Xing-qiu.(2023).First-principles and experimental study on the inhibition efficiency of BTA for 20SiMn steel in chloride-containing solutions.MATERIALS LETTERS,352,4. |
| MLA | Cao, Fengting,et al."First-principles and experimental study on the inhibition efficiency of BTA for 20SiMn steel in chloride-containing solutions".MATERIALS LETTERS 352(2023):4. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。