Synergistic Effect of Purpald with Tartaric Acid on the Corrosion Inhibition of Mild Steel: from Electrochemical to Theoretical Insights

被引:8
作者
Guo, Lei [1 ]
Wu, Min [1 ]
Leng, Senlin [1 ]
Qiang, Yujie [2 ]
Zheng, Xingwen [2 ]
机构
[1] Tongren Univ, Sch Mat & Chem Engn, Tongren 554300, Peoples R China
[2] Mat Corros & Protect Key Lab Sichuan Prov, Zigong 643000, Peoples R China
基金
中国国家自然科学基金;
关键词
DENSITY-FUNCTIONAL THEORY; CARBON-STEEL; FREQUENCY-MODULATION; MONITORING CORROSION; ELECTRONIC-STRUCTURE; HYDROCHLORIC-ACID; SULFURIC-ACID; ADSORPTION; COPPER; MOLECULES;
D O I
10.1134/S2070205118050076
中图分类号
TF [冶金工业];
学科分类号
0806 ;
摘要
The mutually corroborated electrochemical measurements and theoretical calculations were used to investigate the corrosion inhibition performances of purpald (4-amino-3-hydrazino-5-mercapto-1,2,4-triazole, AHMT) and its synergistic effect with tartaric acid (TA) on mild steel in 0.5 M H2SO4 solution. The experimental results show that the inhibition efficiency increases with the concentration of AHMT and increases further when TA exists. Density functional theory (DFT) calculations were performed to interpret the measured data and trends observed in the electrochemical studies. Furthermore, molecular dynamic simulation revealed a nearly flat configuration for molecules on metal surface with negative adsorption energies in a sequence agreed with experimental observation.
引用
收藏
页码:917 / 925
页数:9
相关论文
共 39 条
  • [1] Electrochemical frequency modulation as a new technique for monitoring corrosion inhibition of iron in acid media by new thiourea derivative
    Abdel-Rehim, SS
    Khaled, KF
    Abd-Elshafi, NS
    [J]. ELECTROCHIMICA ACTA, 2006, 51 (16) : 3269 - 3277
  • [2] The isoxazolidines: a new class of corrosion inhibitors of mild steel in acidic medium
    Ali, SA
    Saeed, MT
    Rahman, SU
    [J]. CORROSION SCIENCE, 2003, 45 (02) : 253 - 266
  • [3] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE
    ANDERSEN, HC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) : 2384 - 2393
  • [4] Synergistic corrosion protection for galvanized steel in 3.0% NaCl solution by sodium gluconate and cationic surfactant
    Azaroual, M. A.
    El Harrak, E. F.
    Touir, R.
    Rochdi, A.
    Ebn Touhami, M.
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2016, 220 : 549 - 557
  • [5] A MULTICENTER NUMERICAL-INTEGRATION SCHEME FOR POLYATOMIC-MOLECULES
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) : 2547 - 2553
  • [6] From molecules to solids with the DMol3 approach
    Delley, B
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18) : 7756 - 7764
  • [7] Experimental and theoretical studies of thiazoles as corrosion inhibitors for mild steel in sulphuric acid solution
    Doner, Ali
    Solmaz, Ramazan
    Ozcan, Muzaffer
    Kardas, Gulfeza
    [J]. CORROSION SCIENCE, 2011, 53 (09) : 2902 - 2913
  • [8] Carbon steel corrosion: a review of key surface properties and characterization methods
    Dwivedi, Deepak
    Lepkova, Katerina
    Becker, Thomas
    [J]. RSC ADVANCES, 2017, 7 (08): : 4580 - 4610
  • [9] Adsorption and Quantum Chemical Studies on the Inhibition of the Corrosion of Aluminum in HCl by Gloriosa superba (GS) Gum
    Eddy, Nnabuk Okon
    Ibok, Udo J.
    Ameh, Paul O.
    Alobi, Nsor O.
    Sambo, Musa M.
    [J]. CHEMICAL ENGINEERING COMMUNICATIONS, 2014, 201 (10) : 1360 - 1383
  • [10] Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass
    Gao, Guo
    Liang, Chenghao
    [J]. ELECTROCHIMICA ACTA, 2007, 52 (13) : 4554 - 4559