Molecular dynamics simulation and density functional theory on corrosion inhibition of imidazoline derivatives

被引：0
|
作者：
Hu, Songqing [1 ]
Hu, Jianchun [1 ]
Zhang, Jun [1 ]
Shi, Xin [1 ]
Guo, Wenyue [1 ]
机构：
[1] College of Physics Science and Technology, China University of Petroleum, Dongying 257061, China
来源：
Shiyou Xuebao, Shiyou Jiagong/Acta Petrolei Sinica (Petroleum Processing Section) | 2010年 / 26卷 / 02期
关键词：
Compendex;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Density functional theory
引用
收藏
页码：250 / 256
相关论文
共 50 条
  • [1] Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance
    Xia, Shuwei
    Qiu, Meng
    Yu, Liangmin
    Liu, Fuguo
    Zhao, Haizhou
    CORROSION SCIENCE, 2008, 50 (07) : 2021 - 2029
  • [2] Density functional theory on inhibition performance of CO2 corrosion-resistant imidazoline derivatives
    College of Physics Science and Technology in China University of Petroleum, Dongying 257061, China
    不详
    不详
    Zhongguo Shiyou Daxue Xuebao (Ziran Kexue Ban), 2009, 6 (128-131):
  • [3] Theoretical studies on the corrosion inhibition performance of three amine derivatives on carbon steel: Molecular dynamics simulation and density functional theory approaches
    Shahraki, Mehdi
    Dehdab, Maryam
    Elmi, Shirin
    JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, 2016, 62 : 313 - 321
  • [4] Corrosion inhibition by imidazoline and imidazoline derivatives: a review
    Sriplai, Nipaporn
    Sombatmankhong, Korakot
    CORROSION REVIEWS, 2023, 41 (03) : 237 - 262
  • [5] Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional theory cum molecular dynamics simulation approach
    Saha, Sourav Kr
    Murmu, Manilal
    Murmu, Naresh Chandra
    Banerjee, Priyabrata
    JOURNAL OF MOLECULAR LIQUIDS, 2022, 364
  • [6] Molecular level insights for the corrosion inhibition effectiveness of three amine derivatives on the carbon steel surface in the adverse medium: A combined density functional theory and molecular dynamics simulation study
    Saha, Sourav Kr.
    Murmu, Manilal
    Murmu, Naresh Chandra
    Obot, I. B.
    Banerjee, Priyabrata
    SURFACES AND INTERFACES, 2018, 10 : 65 - 73
  • [7] Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor
    Saha, Sourav Kr.
    Ghosh, Pritam
    Hens, Abhiram
    Murmu, Naresh Chandra
    Banerjee, Priyabrata
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2015, 66 : 332 - 341
  • [8] Effect of alkyl chain length on inhibition performance of imidazoline derivatives investigated by molecular dynamics simulation
    Yu, L. J.
    Zhang, J.
    Qiao, G. M.
    Yan, Y. G.
    Ti, Y.
    Zhang, Y.
    MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION, 2013, 64 (03): : 225 - 230
  • [9] Effect of phosphonate functional group on corrosion inhibition of imidazoline derivatives in acidic environment
    Guo, Wenshu
    Talha, Mohd
    Lin, Yuanhua
    Ma, Yucong
    Kong, Xiangwei
    JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2021, 597 : 242 - 259
  • [10] Density functional theory and molecular dynamics simulation of the corrosive particle diffusion in pyrimidine and its derivatives films
    Obot, I. B.
    Bahraq, Ashraf A.
    Alamri, Aeshah H.
    COMPUTATIONAL MATERIALS SCIENCE, 2022, 210
12345