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Verification and Validation Issues in Advanced Numerical Modeling: Pitting Corrosion
Verification and Validation Issues in Advanced Numerical Modeling: Pitting Corrosion
Pitting corrosion
■ Localized corrosion
■ Insidious!
Corrosion- Navy’s perpetual problem ! ■ Can cause catastrophic
failures
Credit: © PIM SCHALKARIJK, HARD RAIN PICTURE LIBRARY
Source: A. S. Hamada, et al., Materials Science and Source: T. Suter, et al., Journal of the
Engineering A, 431, 211-217, 2006. Electrochemical Society, 148(5), B174-B185, 2001.
Source: A. Shahryari, et al., Corrosion Science, 51, 677-682, 2009. Source: S. Lillard, Los Alamos National Laboratory, 2002.
○ (111)
◊ (110)
♦ (100)
● Poly
Source: G. Treacy & C. Breslin, Electrochimica, 43(12-13), 1715-1720, 1998. Source: A. Sato et al., Materials Transactions, JIM, 37(4), 729-732, 1996.
i Vcorr , c n c zFAdiss exp zF Vcorr Vapp Vcorr / RT Presence of the
solid is felt here!
i Vcorr ,
Vn
■ Corrosion front velocity (~dissolution rate): zFcsolid
COMSOL COMSOL
Laplace Module ALE Module
() (x, y, nx, ny)
Local corrosion
OIM grid data
potential Matlab function
(x, y, Euler angles)
(Vcorr at x,y)
N
avg
Vcorr Vcorr
CDi
N 0.24V
i 1
V CD
corr : V[001] s 1 001 CD
[0 0 1] [0 0 1] [0 1 1]
[0 1 1]
5% variation 10% variation
Vcorr (V)
Assumption 1: The corrosion parameters of 316 SS are similar to those of 304 SS in 1M NaCl solution.
Assumption 2: Corrosion potential of FCC 316 SS varies the same way as that of FCC Aluminum.
Constrained
Zero Flux
Allows expansion
Electrolyte (seawater)
=0V
Metal 1 Metal 2
Source: Deshpande KB. Corrosion Science 2010;52:3514.
M
Vn n
zF
Simpler problem from the literature to
immediately verify the implementation of
ALE meshing technique.
Verification
Our result
Source: Deshpande KB. Corrosion Science 2010;52:3514.
100 mm
Location 1
Location 2
[1 1 1]
Location 4
Location 3
[0 0 1] [0 1 1]
NOTE: Ten locations are simulated.
Pit shapes: 5% variation (Vcorr)
Location 1 Location 2
Vcorr g (CD)
Location 3
t 180s Location 4
Location 1 Location 2
Vcorr g (CD)
Location 3
t 180s Location 4
t 0s t 30s t 60s
Location 3
10 % variation
t 180s
Polarization Behavior:
o Selective masking through photolithography (SMP)
technique.
o Obtain polarization behavior for 4-6 crystal
directions.
o Use interpolation to obtain corrosion potential as a
function of crystal orientation.
Assumption 1: The corrosion behavior of 316 SS is similar to that of 304 SS in 1M NaCl solution.
Assumption 2: Corrosion potential of FCC 316 SS varies the same way as that of FCC Aluminum.
ci
Balance of Species: J i Ri
t
Ionic Di
Flux: J i Di ci zi F ci ci v
RT
Transport by Transport by
diffusion convection
Transport by
electromigration
■ Species generation can be defined through first-order reaction terms.
The reaction rates, ki, in turn may depend
Species Generation: upon the species concentrations, ci, and the
(Chemical Reactions)
Ri : ki f creactants kibcproducts potential difference across the interface
rendering the physics fully coupled.
csteel : ci M i M , i Fe2 , Cr 3 , Ni 2 .
i
fluid
csteel csat constant,
solid
csteel cleft & csteel
solid
cright .
Asymmetric Growth of Front
■ ALE meshing is used to track corrosion Due to Concentration Differences
front:
J n csat cmetal Vn 0.
US NAVAL RESEARCH LABORATORY COMSOL Modeling Summit 2013
Coupled Electrochemistry-Mass Transport
■ Fully-coupled electrochemical-mass
No flux
transport problem.
■ Solve for 8 species concentrations and
Normal flux based on electric potential: Fe2+,FeOH+,
Tafel approximation Pit Cr3+,CrOH2+,OH-, H+, Cl-, Na+, .
Coupling of this electrochemical-mass ■ Tafel approximation based flux BC.
transport problem with corrosion front ■ No interface movement!
movement will result in complete Source: Malki B, Souier T, Baroux B. Journal of the
corrosion simulation capability. Electrochemical Society 2008;155