journal article·2026-03

Density functional theory, molecular dynamics and thermodynamics analyses of silane-modified waterborne Epoxy/Q235 steel interfaces: Adhesion and anti-corrosion

Guangguang Xiang, Jinghong Ma, Dezhi Zeng, Yanli Zhou, Hongpeng Zheng

Corrosion Science· Volume 260
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Corrosion Behavior and Inhibition · Surface Modification and Superhydrophobicity · Polymer composites and self-healing

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (66)

Show source-provided references
1. Nanocomposite organic coatings for corrosion protection of metals: a review of recent advances
2. Enhanced mechanical properties and tribological performance of anodic oxide coating by using thermal power plant waste material10.1016/j.ceramint.2024.07.203 ↗
3. Recent advances in cathodic electrodeposition coatings with special reference to resin materials: a comprehensive review
4. Progress in bio-based anti-corrosion coatings; a concise overview of the advancements, constraints, and advantages
5. A detailed molecular dynamics simulation and experimental investigation on the interfacial bonding mechanism of an epoxy adhesive on carbon steel sheets decorated with a novel cerium–lanthanum nanofilm10.1021/acsami.7b00644 ↗
6. The kinetics and mechanism of filiform corrosion affecting organic coated Mg alloy surfaces10.1016/j.corsci.2022.110477 ↗
7. The use of anion exchange pigments to inhibit the filiform corrosion of zinc-aluminium-magnesium coated steel10.1016/j.corsci.2021.109886 ↗
8. Surface roughness profile and its effect on coating adhesion and corrosion protection: A review
9. Adhesion and cohesion of epoxy-based industrial composite coatings10.1016/j.compositesb.2020.108035 ↗
10. Peelable coatings: A review
11. Adhesion of advanced overlay coatings: mechanisms and quantitative assessment10.1016/0257-8972(94)01022-B ↗
12. The role of neodymium based thin film on the epoxy/steel interfacial adhesion and corrosion protection promotion10.1016/j.apsusc.2018.09.109 ↗
13. An overview of the basic aspects of polymer adhesion. Part I: Fundamentals10.1002/pen.760351202 ↗
14. Adhesion and cohesion of epoxy-based industrial composite coatings10.1016/j.compositesb.2020.108035 ↗
15. Adhesion and erosion properties of epoxy resin composite coatings reinforced with fly ash cenospheres and short glass fibers10.1016/j.porgcoat.2018.09.029 ↗
16. Influence of anodic oxide film structure on adhesive bonding performance of 5754 aluminum alloy10.1016/S1003-6326(19)65091-0 ↗
17. Influence of pretreatments and aging on the adhesion performance of epoxy-coated aluminum10.1016/j.surfcoat.2012.07.096 ↗
18. The effects of addition of poly(vinyl) alcohol (PVA) as a green corrosion inhibitor to the phosphate conversion coating on the anticorrosion and adhesion properties of the epoxy coating on the steel substrate10.1016/j.apsusc.2014.11.167 ↗
19. An investigation of primer adhesion and topcoat compatibility on the waterborne intumescent coating to structural steel10.1016/j.porgcoat.2019.03.003 ↗
20. Modification of epoxy resins with functional silanes, polysiloxanes, silsesquioxanes, silica and silicates10.1016/j.progpolymsci.2014.08.001 ↗
21. Properties of phenol formaldehyde resin modified with silane coupling agent (KH550)10.1016/j.ijadhadh.2018.03.006 ↗
22. Distinctive roles of silane coupling agents on the corrosion inhibition performance of graphene oxide in epoxy coatings10.1016/j.porgcoat.2017.05.008 ↗
23. Bahlakeh · Appl. Surf. Sci. · 2017 · 419 · 65010.1016/j.apsusc.2017.05.070 ↗
24. Enhancing CO selectivity in CO2 photoreduction via local hydrophobic modifications in s-scheme heterojunctions
25. Elucidating the non-covalent interactions that trigger interdigitation in lead-halide layered hybrid perovskites10.1021/acs.inorgchem.3c04536 ↗
26. Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study10.1016/j.ijhydene.2018.10.241 ↗
27. Prostate cancer biomarkers detection using C6N6 nanostructures: a DFT study
28. Density-functional exchange-energy approximation with correct asymptotic behavior10.1103/PhysRevA.38.3098 ↗
29. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density10.1103/PhysRevB.37.785 ↗
30. Multidimensional insights involving electrochemical and in silico investigation into the corrosion inhibition of newly synthesized pyrazolotriazole derivatives on carbon steel in a HCl solution10.1039/C9RA05881H ↗
31. Evaluation of novel glycidyl ether methylene phthalimide epoxy resin for mild steel corrosion inhibition in 1M HCl: synthesis, characterization, electrochemical, and DFT/MD comprehensive approaches10.1016/j.molstruc.2025.143112 ↗
32. Dual-functional 2D/2D inhibitor-loaded ZnAl-LDH/Graphene oxide nanohybrid for active/passive integrated corrosion protection in waterborne epoxy coatings10.1021/acs.langmuir.5c02357 ↗
33. Computational evaluation of multifunctional nanostructured inhibitors to control microbiologically influenced corrosion: DFT calculations and MD simulations10.1007/s10800-023-01934-8 ↗
34. Surface interaction and inhibition mechanisms of hydrazide derivatives on N80 steel in acidizing media: a comprehensive analysis through experimental and theoretical methods10.1016/j.cplett.2023.140980 ↗
35. The impact of different side chain ionomer on membrane electrode assembly performance and durability10.1016/j.cej.2023.145050 ↗
36. Chitosan derivatives as promising green corrosion inhibitors for carbon steel in acidic environment: inhibition performance and interfacial adsorption mechanism10.1016/j.jcis.2023.02.141 ↗
37. Investigation of methane adsorption mechanism in Low-Rank bituminous coal considering internal water Distribution: A molecular simulation and experimental study10.1016/j.cej.2024.153562 ↗
38. Phase structure of ternary polypropylene/elastomer/filler composites: effect of elastomer polarity10.1016/S0032-3861(00)00303-7 ↗
39. Surface energy of thermotropic liquid crystalline polyesters and polyesteramide10.1002/(SICI)1099-0488(19980930)36:13<2327::AID-POLB8>3.0.CO;2-P ↗
40. Critical assessment of the correlation between surface tension components and Hansen solubility parameters10.1016/j.colsurfa.2023.132423 ↗
41. Imparting durable superhydrophobic/oleophobic properties to wood surfaces by means of PFDMS@ MTCS vapor deposition
42. Determination of interfacial tensions, contact angles, and dispersion forces in surfaces by assuming additivity of intermolecular interactions in surfaces10.1021/j100808a524 ↗
43. Self-assembled microstructures with localized graphene domains in an epoxy blend and their related properties10.1016/j.apsusc.2022.154925 ↗
44. Rigid photosensitive polyimide significantly improves the comprehensive performance of UV-curing epoxy acrylic resins10.1021/acsapm.4c01133 ↗
45. Hybrid of micro-aramid and nano-alumina prominently enhanced the wear resistance of polytetrafluoroethylene composites10.1177/07316844241253467 ↗
46. Preparation sulfhydryl functionalized paramagnetic Ni0.25Zn0.75Fe2O4 microspheres for separating Pb(II) and Hg(II) ions from aqueous solution10.1016/j.colsurfa.2019.124205 ↗
47. Surface modification of self-healing poly(urea-formaldehyde) microcapsules using silane-coupling agent10.1016/j.apsusc.2008.06.170 ↗
48. Preparation and properties of waterborne epoxy resin modified by poly(meth) acrylates containing long fluorinated side chains10.1080/10601325.2018.1496794 ↗
49. Improvements of adhesion strength of water-based epoxy resin on carbon fiber reinforced polymer (CFRP) composites via building surface roughness using modified silica particles10.1016/j.compositesa.2023.107511 ↗
50. Waterborne epoxy resins modified by reactive polyacrylate modifier with fluorinated side chains10.1007/s11998-019-00288-1 ↗
51. All-solid-state nanocomposite electrolytes composed of an ionic polymer with polar groups and surface-modified SiO2 nanoparticles for dye-sensitized solar cells10.1039/C6RA12787H ↗
52. Water and corrosion resistance of epoxy–acrylic–amine waterborne coatings: effects of resin molecular weight, polar group and hydrophobic segment10.1016/j.corsci.2013.05.020 ↗
53. Enhancing interfacial strength of epoxy resin composites via evolving hyperbranched amino-terminated POSS on carbon fiber surface10.1016/j.compscitech.2018.12.001 ↗
54. Effect of amino-functionalization on the interfacial adhesion of multi-walled carbon nanotubes/epoxy nanocomposites10.1016/j.matdes.2011.04.033 ↗
55. Enhancing the interfacial strength of carbon fiber reinforced epoxy composites by green grafting of poly(oxypropylene) diamines10.1016/j.compositesa.2017.04.003 ↗
56. Atmospheric-pressure plasma assisted engineering of polymer surfaces: From high hydrophobicity to superhydrophilicity10.1016/j.apsusc.2020.147032 ↗
57. Influences of different modification methods on surface activation of waste tire rubber powder applied in cement-based materials10.1016/j.conbuildmat.2021.125191 ↗
58. Impact of filler surface modification on large scale mechanics of styrene butadiene/silica rubber composites10.1021/ma1026077 ↗
59. Fiber-matrix interactions in thermoplastic composites10.1177/089270579400700302 ↗
60. A sulfuric acid surface treatment of mild steel for enhancing the protective properties of an organosilane coating10.1016/j.porgcoat.2016.10.033 ↗
61. Modification of paper surface by all-lignin coating formulations10.3390/ma15227869 ↗
62. Thermodynamic prediction of filler surface modification by APTES on corrosion resistance of nano-TiO2/waterborne epoxy coatings10.1016/j.surfcoat.2024.131105 ↗
63. Unveiling the effects of thermodynamic interaction of basalt fibers/epoxy interfaces on thermal stability, mechanical properties and corrosion resistance of basalt fibers reinforced waterborne epoxy coatings10.1002/pc.29551 ↗
64. Influence of pre-treatments on adhesion, barrier and mechanical properties of epoxy coatings: a comparison between steel, AA7075 and AA202410.1016/j.apsadv.2023.100479 ↗
65. Diatomite@MoS2 nanocomposite layers as composite coating targeting for mg alloys endowed with properties of anticorrosion and antiwear10.1021/acs.langmuir.4c00461 ↗
66. Corrosion protection of epoxy coated steel using different silane coupling agents10.1002/(SICI)1097-4628(19990124)71:4<585::AID-APP10>3.0.CO;2-D ↗