Understanding of ammonium salts under-deposit corrosion: Electrochemical and AIMD investigations
Source abstract
Abstract
In-situ electrochemical experiments and ab initio molecular dynamics (AIMD) simulations are combined to investigate the under-deposit corrosion and hygroscopicity of ammonium salts on SAE 1020 steel interdigital electrodes. The findings indicate that the hygroscopicity of ammonium salts influences the evolution of the interface and the accumulation of the product film. The corresponding simulations reveal that the hydrolysis of NH 4 + leads to the generation of a proton transfer chain, resulting in an elevation of H + concentration. This hydrolysis behavior is effectively catalyzed on the Fe(1 0 0) surface, promoting the occurrence of anodic adsorption and cathodic hydrogen evolution reaction, thereby inducing corrosion.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Corrosion Behavior and Inhibition · Hydrogen embrittlement and corrosion behaviors in metals · Concrete Corrosion and Durability
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (53)
Show source-provided references
1. Phase behavior for mixture containing NH4Cl and viscous gluconic acid
2. An overview of ammonium chloride (NH4Cl) corrosion in the refining unit10.1088/1742-6596/1378/2/022089 ↗
3. Corrosion in crude distillation overhead system: A review10.1007/s40735-019-0262-4 ↗
4. Failure analysis of stress corrosion cracking of 316L structured packing in a distillation tower10.1016/j.engfailanal.2017.05.019 ↗
5. Underdeposit corrosion in crude tower overheads
6. Hygroscopicity and evaporation of ammonium chloride and ammonium nitrate: Relative humidity and size effects on the growth factor10.1016/j.atmosenv.2011.02.024 ↗
7. Evaluating ammonium chloride corrosion potential with water partial pressure
8. Ammonium chloride corrosion in the refining industry
9. Corrosion in crude oil distillation unit overhead: A recent case study
10. Corrosion in crude distillation unit overhead operations: a comprehensive review
11. Corrosion of carbon steel and alloys in concentrated ammonium chloride solutions10.5006/0587 ↗
12. Correlation between corrosion behaviour and semiconductor characteristics of passive film on incoloy 825 in ammonium chloride solution10.20964/2020.05.10 ↗
13. Electrochemical investigation of corrosion of mild steel in NH4Cl solution10.20964/2018.06.05 ↗
14. High-temperature corrosion of Inconel®Alloy 718, Haynes®282®Alloy and CoWAlloy1&2 in supercritical ammonia/ammonium chloride solution10.1016/j.jcrysgro.2018.06.018 ↗
15. Effect of relative humidity on ammonium chloride corrosion in refineries10.5006/1.3590331 ↗
16. Under deposit corrosion (UDC) in the oil and gas industry: a review of mechanisms, testing and mitigation
17. Effects of NaCl and NH4Cl on the initial atmospheric corrosion of zinc10.1016/j.corsci.2004.11.010 ↗
18. Development of corrosion inhibitors to address under deposit corrosion in oil and gas production systems
19. Development of standard test method for investigation of under-deposit corrosion in carbon dioxide environment and its application in oil and gas industry
20. DFT studies of adsorption properties and bond strengths of H2s, HCN and NH3 on Fe(1 0 0)10.1016/j.apsusc.2019.144232 ↗
21. Designing for high corrosion-resistant high nitrogen martensitic stainless steel based on DFT calculation and pressurized metallurgy method10.1016/j.corsci.2019.07.007 ↗
22. DFT study on the mechanism of inclusion-induced initial pitting corrosion of Al-Ti-Ca complex deoxidized steel with Ce treatment10.1016/j.physb.2019.01.027 ↗
23. Oxidation versus salt-film formation: Competitive adsorption on a series of metals from first-principles10.1016/j.electacta.2018.02.150 ↗
24. Enhanced corrosion resistance of mild steel in 1M HCl solution by trace amount of 2-phenyl-benzothiazole derivatives: Experimental, quantum chemical calculations and molecular dynamics (MD) simulation studies10.1016/j.corsci.2016.11.002 ↗
25. Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: Experimental, DFT and MD studies10.1016/j.molliq.2017.08.049 ↗
26. Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: a combined DFT and MD simulation study10.1016/j.molliq.2016.09.110 ↗
27. N-Methyl-N, N, N-trioctylammonium chloride as a novel and green corrosion inhibitor for mild steel in an acid chloride medium: electrochemical, DFT and MD studies10.1039/C7NJ02254A ↗
28. Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: outlooks from experimental and computational investigations10.1016/j.jcis.2020.04.022 ↗
29. Novel schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach10.1039/C6CP01993E ↗
30. Novel benzimidazole derivatives as corrosion inhibitors of mild steel in the acidic media. Part II: Theoretical studies10.1016/j.corsci.2014.02.025 ↗
31. Ab initio molecular dynamics: basic concepts, current trends and novel applications
32. Atomistic mechanisms underlying plasticity and crack growth in ceramics: a case study of AlN/TiN superlattices10.1016/j.actamat.2022.117809 ↗
33. Time-temperature-transformation and continuous-heating-transformation diagrams of GeSb2Te4 from nanosecond-long ab initio molecular dynamics simulations10.1016/j.actamat.2016.09.011 ↗
34. Element interactions and local structure in molten NiRe and NiAlRe alloys: Implications for the aggregation and partition of Re10.1016/j.actamat.2020.02.018 ↗
35. Deciphering water-solid reactions during hydrothermal corrosion of SiC10.1016/j.actamat.2021.116803 ↗
36. Substitutional adsorptions of chloride at grain boundary sites on hydroxylated alumina surfaces initialize localized corrosion10.1038/s41529-021-00161-w ↗
37. Hydration of NH 4+ in water: Bifurcated hydrogen bonding structures and fast rotational dynamics10.1103/PhysRevLett.125.106001 ↗
38. Characterization of AA2024-T3 by scanning Kelvin probe force microscopy10.1149/1.1838633 ↗
39. High-resolution Kelvin probe microscopy in corrosion science: scanning Kelvin probe force microscopy (SKPFM) versus classical scanning Kelvin probe (SKP)10.1016/j.electacta.2007.03.016 ↗
40. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach10.1016/j.cpc.2004.12.014 ↗
41. CP2K: An electronic structure and molecular dynamics software package - quickstep: Efficient and accurate electronic structure calculations10.1063/5.0007045 ↗
42. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
43. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
44. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases10.1063/1.2770708 ↗
45. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn10.1103/PhysRevB.58.3641 ↗
46. Separable dual-space Gaussian pseudopotentials10.1103/PhysRevB.54.1703 ↗
47. Student understanding of the ideal gas law, Part I: A macroscopic perspective10.1119/1.2049286 ↗
48. Iron corrosion in the “inert” supercritical CO2, ab initio dynamics insights: How impurities matter10.1016/j.matt.2021.12.019 ↗
49. The analysis of electrode impedances complicated by the presence of a constant phase element10.1016/S0022-0728(84)80324-1 ↗
50. Determination of effective capacitance and film thickness from constant-phase-element parameters10.1016/j.electacta.2009.10.065 ↗
51. Analysis of XPS spectra of Fe2+ and Fe3+ ions in oxide materials10.1016/j.apsusc.2007.09.063 ↗
52. Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems10.1002/jcc.26812 ↗
53. Multiwfn: a multifunctional wavefunction analyzer10.1002/jcc.22885 ↗