KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für...
Transcript of KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für...
![Page 1: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/1.jpg)
Universität Siegen Institut für Werkstofftechnik
KinCorrModeling of Corrosion Phenomena
Ravisankar Naraparaju M.Sc
Head of the Institute: Prof. Dr.-Ing. H.-J. Christ
![Page 2: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/2.jpg)
What is KinCorr?
• KinCorr - a computer- based program for simulation of high- temperature corrosion phenomena
• Use of numerical diffusion calculation in combination with thermodynamic equilibrium concepts
• The application KinCorr is parallelized along its functions (function-master, function- slave and function- matlab)
Universität SiegenInstitut für Werkstofftechnik
![Page 3: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/3.jpg)
Universität Siegen Institut für Werkstofftechnik
Physical Modelingand
Computer-Based Simulation
![Page 4: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/4.jpg)
Universität Siegen Institut für Werkstofftechnik
Physical Modeling
homogeneous internal attack
Ni-20Cr-2Ti
TiN
intergranular corrosion attack
M 23C6
austenitic steel
![Page 5: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/5.jpg)
Universität Siegen Institut für Werkstofftechnik
Physical Modeling
outer scale and internal attack
Inconel 625 Si
inward-growing scale
Al 2O3
Cr 2O3
SiO2
low-Cr steel
Fe3O4
+ FeCr2O4
![Page 6: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/6.jpg)
Universität Siegen Institut für Werkstofftechnik
More realistic systems
Description of corrosion kinetics
ComputerThermodynamics Diffusion
Life-cycle of power plant materials
ChemApp and data-bank
Diffusion in differentphases (corrosion product
and substrate) differentiation of diffusion along alloy
grain boundary and volume
moving boundary conditions
![Page 7: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/7.jpg)
Institut für Werkstofftechnik
Modeling
Universität Siegen
MATLAB
ChemApp
InCorr
solid state diffusion
representation
G = Minimum
local thermodynamicequilibrium
![Page 8: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/8.jpg)
Universität Siegen Institut f ür Werkstofftechnik
Mathematical Modeling
∂∂
∂∂=
∂∂
x
cD
xt
c2
2
x
cD
t
c
∂∂∂∂∂∂∂∂====
∂∂∂∂∂∂∂∂( )TfD =
2
2
2
2
y
cD
x
cD
t
cyx ∂∂∂∂
∂∂∂∂++++∂∂∂∂∂∂∂∂====
∂∂∂∂∂∂∂∂
One-Dimensional
Two-Dimentional
t
cc
t
c jiji
∆,, −−−−
≈≈≈≈∂∂∂∂∂∂∂∂ ++++1
2
11
2
2 2
)(,,,
x
ccc
x
c jijiji
∆−−−−++++ ++++−−−−
≈≈≈≈∂∂∂∂∂∂∂∂
jijijiji rccrrcc ,,,, )( 111 21 ++++−−−−++++ ++++−−−−++++====
2)( x
tDr
∆∆====
One-Dimensional Problem – explicit finite-difference method
jjj bAcc ++++====++++1
−−−−
−−−−−−−−
−−−−−−−−
====
rr
r
r
rrr
rrr
rrr
rr
2100000
0000
02100
00210
00021
000021
......
....
...
...
...
...
A
====
0
0
0
.
.
.b
s
j
rc
2
1≤≤≤≤r
![Page 9: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/9.jpg)
Universität Siegen Institut f ür Werkstofftechnik
One-Dimensional problem – implicit finite-difference method
2
2
x
cD
t
c
∂∂∂∂∂∂∂∂====
∂∂∂∂∂∂∂∂ t
cc
t
c jiji
∆,, −−−−
≈≈≈≈∂∂∂∂∂∂∂∂ ++++1
)()( ,,,,,, 111111122
2
222
1++++++++++++++++++++−−−−++++ ++++−−−−++++++++−−−−≈≈≈≈
∂∂∂∂∂∂∂∂
jijijijijiji ccccccxx
c
∆
jjj b)NI(c)NI()NI(c 111 222 −−−−−−−−
++++ ++++++++−−−−++++====
xMN r====
−−−−−−−−
−−−−−−−−−−−−
−−−−−−−−−−−−−−−−
−−−−
====
2100000
1
01000
012100
001210
000121
000012
......
....
...
...
...
...
M x
![Page 10: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/10.jpg)
Universität Siegen Institut für Werkstofftechnik
Two-Dimensional Problem – implicit finite-difference method
2
2
2
2
y
cD
x
cD
t
cyx ∂∂∂∂
∂∂∂∂++++∂∂∂∂∂∂∂∂====
∂∂∂∂∂∂∂∂
(((( ))))2x
tDr x
x∆
∆==== (((( ))))2
y
tDr y
y∆
∆====
(((( )))) (((( )))) (((( ))))(((( )))) (((( )))) )( ,,,,,
,,,,,
jiyix
jiyixx
jiyixyx
jiyix
jiyixy
jiyix
jiyixy
jiyixyx
jiyix
jiyixx
ccrcrrccr
ccrcrrccr
1111
11
11
111
11
12
12
++++−−−−++++−−−−
++++−−−−
++++++++
++++++++−−−−
++++++++
++++⋅⋅⋅⋅−−−−⋅⋅⋅⋅−−−−−−−−⋅⋅⋅⋅−−−−++++⋅⋅⋅⋅−−−−
====++++⋅⋅⋅⋅++++⋅⋅⋅⋅++++++++⋅⋅⋅⋅−−−−++++⋅⋅⋅⋅
(((( ))))
(((( ))))
(((( ))))
(((( )))))],,(),,(),,([
),(
),(
)],,(),,(),,([),(
),(
)],,(),,(),,([),(
),(
)],,(),,(),,([),(
),(),,(),,(
ttyyxcttyxcttyyxcyxy
yxD
tyyxctyxctyyxcyxy
yxD
ttyxxcttyxcttyxxcyxx
yxD
tyxxctyxctyxxcyxx
yxD
t
tyxcttyxc
y
y
x
x
∆∆∆∆∆∆
∆∆∆
∆∆∆∆∆∆
∆∆∆∆
∆
++++++++++++++++−−−−++++−−−−++++
++++++++−−−−−−−−++++
++++++++++++++++−−−−++++−−−−++++
++++++++−−−−−−−−====−−−−++++
22
22
22
22
2
2
2
2
![Page 11: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/11.jpg)
Universität Siegen Institut für Werkstofftechnik
Diffusion
Thermodynamics
![Page 12: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/12.jpg)
Universität Siegen Institut für Werkstofftechnik
![Page 13: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/13.jpg)
Universität Siegen Institut f ür Werkstofftechnik
outerscale (Fe O )3 4
intercrystallineoxidation (Cr O )2 3
innerscale (Fe O , FeCr O )3 4 2 4
p(O )2
p(O )2
p(O )2
FeCr O2 4
Cr O2 3
Fe O3 4
5 µmDGB
Dx
Deff
Dymovinginterface
Computer Simulation of Oxidation Processes
InCorr
![Page 14: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/14.jpg)
Universität SiegenInstitut für Werkstofftechnik
![Page 15: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/15.jpg)
Universität SiegenInstitut für Werkstofftechnik
Only Internal diffusion calculation
![Page 16: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/16.jpg)
Universität Siegen Institut für Werkstofftechnik
Inner layer growth
(((( )))) (((( ))))[[[[ ]]]]422432
2
O)FeCr(OlnO)Fe(Oln pptDeff −−−−
====ξ
![Page 17: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/17.jpg)
Universität Siegen Institut f ür Werkstofftechnik
cFeCr2O4=2At.%
Grain boundaries
Duration = 270 hrsT = 550oCd = 30 µmLab air
![Page 18: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/18.jpg)
Universität SiegenInstitut für Werkstofftechnik
External diffusion calculation
![Page 19: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/19.jpg)
Universität SiegenInstitut für Werkstofftechnik
Both internal and external diffusion
![Page 20: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/20.jpg)
• No proper diffusion coefficient data in inner spinels at required temperatures
• Effective diffusion coefficient of oxygen can be taken in inner scales.
• Here in the oxidation process of 12% Cr steel diffusion coefficient of oxygen in Fe3O4 scale is considered and multiplied with some factor
• Dealing with multi scales especially dealing the counter diffusion of oxygen and iron to form both external and internal scales simultaneously is very complicated.
• Typical example simulation of both external and internal scalesformed on sample steel having 1mol of Fe and 0.5 mol of Cr when oxidized at 700°C for 50h is shown here.
Lack of diffusion data in multi layered oxide scales
![Page 21: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/21.jpg)
Recent work and future aspects
• Addition of outward scale growth• Simulating the effect of shotpeening in KinCorr• Effect of Water vapour on oxidation
Universität Siegen Institut für Werkstofftechnik
![Page 22: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/22.jpg)
Conclusions
Universität Siegen Institut f ür Werkstofftechnik
The high performance of the developed software KinCorr is sustained by a solid theoretical background.
oxidation and internal nitridation of steels carburization of steels
It can be calculated: concentration profiles of C, Cr, Fe, etc.mass gain as a function of time
The developed software KinCorris capable to account for:
local thermodynamic equilibrium,solid state diffusion and alloy
microstructure
![Page 23: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/23.jpg)
Universität Siegen Institut für Werkstofftechnik
Moving Interface Condition and Diffusion Matrix
D11 D12 D13 D14 D15
Di,j =
x,i
y,j D21 D22 D23 D24 D25
D31 D32 D33 D34 D35
D41 D42 D43 D44 D45
D51 D52 D53 D54 D55
Di,j =
Dx = Dy if (i,j) is not a gbandcFe > 0
Dgb if (i,j) is a gbandcFe > 0
Doxide if in (i,j) cFe = 0
time = 100 hdimension = 1 mm2
∆x = ∆y = 0.1 µmnx = ny = 10 000∆t = 1 snt = 360 000 Di,j =
this must be checked 360 000 times at every (i,j)
![Page 24: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/24.jpg)
Universität Siegen Institut f ür Werkstofftechnik
![Page 25: KinCorr Modeling of Corrosion Phenomena Ravisankar ...€¦ · Universität Siegen Institut für Werkstofftechnik KinCorr Modeling of Corrosion Phenomena Ravisankar Naraparaju M.Sc](https://reader035.fdocuments.net/reader035/viewer/2022070800/5f02516b7e708231d403acf5/html5/thumbnails/25.jpg)
Universität Siegen Institut f ür Werkstofftechnik