Integrated computation of corrosion: Modelling, simulation and applications

Dong, Chaofang; Ji, Yucheng; Wei, Xin; Xu, Aoni; Chen, Dihao; Ni, Li; Kong, Decheng; Luo, Xiejing; Xiao, Kui; Liu, Xiaogang

doi:10.1016/j.corcom.2021.07.001

Cited by 36 publications

(14 citation statements)

References 160 publications

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“…Firstly, the anode mass was evaluated according to the ISO standard and compared with those mounted on the hull of a real 42 m superyacht considered as a case study. In the second section of the paper, a numerical simulation is used to critically analyze both cases and to propose an optimization of the anodic weight, confirming the importance of coupling experimental and modelling approaches, as recently reported in the literature [ 17 ]. The results show a window of intervention for the improvement of CP layout.…”

Section: Introductionsupporting

confidence: 66%

“…Moreover, at the boundary between electrode and electrolyte, the following current balance relationship is valid [ 17 ]:

with n being a vector normal to the surface.…”

Section: Methodsmentioning

confidence: 99%

“…The boundary conditions adopted here express the absence of externally generated current density both in electrodes and electrolyte [ 17 ]:

…”

Section: Methodsmentioning

confidence: 99%

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A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

et al. 2022

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Classification Society and ISO standard regulate the design of cathodic protection (CP) plans of ships and superyachts. However, due to shipyards’ long experience, the hull vessel protection plans often rely on an adaptation of previous CP designs for similar ships. This simple practice could expose ships to low protection or overprotection. Here, the protection plan of an existing 42 m superyacht is considered to highlight critical CP design issues. The numerical analysis gives evidence of discrepancies between the CP design proposed in accordance with ISO standard and the protection plan that was actually implemented. Indeed, for a proper protection plan, the anode weight according to the ISO standard is 2.7 kg, whereas the real protection plan uses a 7 kg anode. The numerical optimization highlights an optimal anode mass of 5 kg (−28.5% in weight). It provides sufficient protection for the expected lifetime, and will preserve the system in cases of damage to the hull and a consequent increase in the breakdown factor. This new solution underlines the importance and necessity of improving cathodic protection plan design.

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Section: Introductionsupporting

confidence: 66%

“…Moreover, at the boundary between electrode and electrolyte, the following current balance relationship is valid [ 17 ]:

with n being a vector normal to the surface.…”

Section: Methodsmentioning

confidence: 99%

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A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

et al. 2022

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“…Therefore, dissociative adsorption studies are found to be advantageous to understand the passivation phenomenon of metals by analysing the surface reaction with small molecules viz . H 2 S, SO 2 , O 2 , H 2 O, etc [4–9] …”

Section: Introductionmentioning

confidence: 99%

“…H 2 S, SO 2 , O 2 , H 2 O, etc. [4][5][6][7][8][9] The adsorption and dissociation studies of one of the environmental pollutant H 2 S is extensively studied due to the following reasons: (i) it poisons the active site of metals, thereby reducing or perhaps inhibiting its catalytic activity, (ii) it acts as a potential source of hydrogen generation, and (iii) the reaction of H 2 S is considered to be a prototypal model for sulphur containing compounds as the thermodynamics and kinetics of H 2 S reactions is known to closely resembles with that of other S-containing compounds. [10][11][12][13][14][15][16][17][18][19][20] The dissociative adsorption of H 2 S has been observed on the surfaces of various metals.…”

Section: Introductionmentioning

confidence: 99%

Dissociative Adsorption of H₂S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations

2021

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The information concerning dissociative adsorption of H2S on Li surface is inadequate and the mechanistic insight for its complete dissociation is yet to be explored. The present investigation aims to scrutinize the dissociative adsorption of H2S on Li(110) surface using density functional theory calculations. The climbing image nudged elastic band calculation was employed to unveil the relative energy profiles for S−H dissociation. To elucidate the components of interaction energy responsible for stabilizing the adsorbed moieties on the surface, periodic energy decomposition analysis was performed. A Car‐Parrinello molecular dynamics (CPMD) simulation was performed to understand the dynamic behaviour of H2S on Li(110). Results vividly demonstrates: (i) partially dissociated product with perpendicular S−H is comparatively stable than the parallel SH, (ii) completely dissociated moieties H/H/S are the most stable among all, (iii) dissociation of first S−H is barrierless and the second S−H dissociation is a low energy barrier reaction, (iv) complete dissociation of H2S occurs in a stepwise manner, (v) orbital and electrostatic contributions of the interaction energy plays a vital role in stabilizing the dissociated moieties, and (vi) stepwise dissociation of H2S was further reinforced by CPMD.

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Advancements in Corrosion Prevention Techniques

Aljibori,

Al-Amiery,

Isahak

2024

J Bio Tribo Corros

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Integrated computation of corrosion: Modelling, simulation and applications

Cited by 36 publications

References 160 publications

A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

Dissociative Adsorption of H₂S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations

Advancements in Corrosion Prevention Techniques

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Integrated computation of corrosion: Modelling, simulation and applications

Cited by 36 publications

References 160 publications

A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

A Critical Analysis on the Current Design Criteria for Cathodic Protection of Ships and Superyachts

Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations

Advancements in Corrosion Prevention Techniques

Contact Info

Product

Resources

About

Dissociative Adsorption of H₂S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations