W(H)YDOC 2005

ENPC Paris

A Chemo-Mechanical model for

bonded geomaterials

Marco Parma

Structural Engineering Department

Politecnico di Milano

24 Nov 2005 W(H)YDOC 2005 1

 Outline

• Rock weathering
• Model features
• Chemical reactions
• Applications
• Concluding remarks

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 WEATHERING WEATHERING
ROCKS CEMENTED SOILS
MATERIALS
DIAGENESIS DIAGENESIS

bond (degradable)

grain (permanent)

Chemical debonding: Mechanical debonding:

dissolution of bonds induced by destruction of bonds by
chemical reactions increasing stress values
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 Engineering relevance of weathering

Mines Slope stability Foundation engineering

Q
δ

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 Engineering relevance of weathering

Petroleum engineering

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 Governing Equations
Flux equation:

∂ ⎛ ∂h ⎞ ∂ ⎛ ∂h ⎞ ∂ ⎛ ∂h ⎞ ∂h
⎜ ⎟
⎜ kx ⎟ + ⎜ k y ⎟ + ⎜ kz ⎟ = SS − qS
∂x ⎝ ∂x ⎠ ∂y ⎝ ∂y ⎠ ∂z ⎝ ∂z ⎠ ∂t

Transport equation:

∂C ∂ ⎛⎜ ∂C ⎞⎟ ∂ N
θ =
⎜
θDij ⎟
− (qiC ) + qS CS + ∑ Rn
∂t ∂xi ⎝ ∂x j ⎠ ∂xi n =1

Source/sink term
Dispersive term Advective term Chemical reactions

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 Nova-Castellanza model (2002)
INCREASING WEATHERING DEGREE
Intact Rock Y(Xd =0)=1 INDEX
f0 = INTACT ROCK
fu = UNBONDED SOIL q

f0
Unbonded Soil Y(Xd =1)=0

fu p’

pt ps pm

pm = pm (eijp, Xd ) = Pm (eijp )Y (Xd ) pt = k pm

[CaCO3 ](t )
X D (t ) = 1 −
[CaCO3 ](t0 )

XD = 0,5 XD = 1
XD = 0

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Extending hardening rules to
weathering (non-mechanical effects) •PATH B: Yield stress vs acid flow time

pm = pm (eijp, Xd ) = Pm (eijp )Y (Xd ) pt = k pm 2500

CRS TESTS:
2000 calcarenite

σDys 1500
[kPa] 1000
Path B: oedometric compression Decreasing of weathering 500
function Y(Xd)
0
q f0 (fresh rock): 0 50 100 150
Y(Xd =0)=1 t [minutes]

•PATH D: Tensile strength vs thermal cycles

fu (unbonded soil):
Y(Xd =1)=0 50
BRAZILIAN TESTS:
40 granite

p’
σ ys 30
D

[MPa] 20

10
Path D: uniaxial tensile strenght
0
0 20 40 60
t [days]

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 Dissolution of calcium carbonate
1) CaCO3 ⇔ Ca 2+ + CO32− K S = 4 . 7 ⋅ 10 − 9 [mol / l ]

CO32 − + H 2 O ⇔ HCO3− + OH −
2) H 2CO3 + 2OH − ⇔ CO32− + 2 H 2O
HCO3− + H 2 O ⇔ H 2 CO3 + OH −

(↑)
H 2CO3 ←⎯⎯→ H 2O + CO2 ( g )
( aq )

3) CH 3COOH + H 2O ⇔ H 3O + + CH 3COO −

Global reaction:

CaCO 3 ( s ) + 2 H 3O(+aq ) ⇔ Ca (2aq+ ) + 3 H 2 O( l ) + CO 2 ( g )

Immobile specie Mobile specie

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 Reaction kinetics

CaCO 3 ( s ) + 2 H 3O(+aq ) ⇔ Ca (2aq+ ) + 3 H 2 O( l ) + CO 2 ( g )

∂C ∂ ⎛⎜ ∂C ⎞⎟ ∂ N
θ =
⎜
θDij ⎟
− (qiC ) + qS CS + ∑ Rn
∂t ∂xi ⎝ ∂x j ⎠ ∂xi n =1

Assumptions:
∂[CaCO3 ]
∂t
[
= − k H 3O + ] ∂ ⎡⎣ H 3O + ⎤⎦
∂t
= − k [CaCO3 ]

Transport equations for selected species:

∂[ H 3O + ] ⎛ ∂ 2 [ H 3O + ] ⎞ ∂
∂t
= Dij ⎜
⎜ ∂x ∂x ⎟ ∂x
⎟− ( )
vi [ H 3O + ] − K1[CaCO3 ]
⎝ i j ⎠ i

∂[CaCO3 ]
= − K 2 [ H 3O + ]
∂t
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 Adopted computer code:
Solving flux equation
GeHoMadrid
(Pastor et al., 1999) Solving mechanical problem

RT3D Solving transport equation

(Clement, 1998)

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 Linking codes…
Veffettiva XD

GeHoMadrid

Nova-Castellanza model
Computing mechanical &
hydraulical parameters
k = f(XD,σV)

CONC1, CONC2

Veffettiva [CaCO3 ](t )

CONC1, CONC2, XD X D (t ) = 1 −
[CaCO3 ](t0 )
RT3D

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 Model calibration
Chemical dissolution test:
PERISTALTIC
PUMPS

63 g silica sand

13 g calcium idroxide

8 g water
ACID SOLUTION
RESERVOIRS

Ca (OH )2 + CO2 ⇒ CaCO3 + H 2 O

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 Model calibration
Evolution
Evolution of+pH:
of H3O concentration during time of exposure:
misure
ACID di concentrazione
CONCENTRATION acida
MEASUREMENTS

0,004
0,0035
0,003
misure di concentrazione acidaprova #1

[H3O+] (kg/cm3)
ACID CONCENTRATION MEASUREMENTS
0,0025
prova #2
0,002
prova #3
0,0015
7 prova #4
0,001
0,0005
6
0
0.00 2.24 4.48 7.12 9.36 12.00
5 tempo (ore)
prova #1
4 prova #2
pH

andam ento m edio

MEAN concentrazione-tem
TREND po
3 prova #3
0,004
prova #4
2 0,0035
0,003
[H3O+] (mol/l)

1 0,0025
0,002
0
0,0015
0.00 2.24
0,001 4.48 7.12 9.36 12.00
0,0005 tempo (ore)
0
0.00 1.12 2.24 3.36 4.48 6.00 7.12 8.24 9.36
tempo (ore)

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 Model calibration

with K1= 4·10-3 e K2= 1.9·104 :

0,004 0,0007 0 ,0 0 4

0,0035 0 ,0 0 3 5
0,0006
[CaCO3] (kg/cm3)

0,003 0 ,0 0 3
0,0005
[H3O+] (mol/l)

0,0025

[H3O+] (mol/l)
0 ,0 0 2 5
0,0004 [H3O+]
0,002 0 ,0 0 2
s p e rim e nta le
0,0003 [CaCO3] num e ric o
0,0015
0 ,0 0 1 5
0,0002
0,001
0 ,0 0 1
0,0005 0,0001
0 ,0 0 0 5
0 0
0.00 2.24 4.48 7.12 9.36 0
0 .0 0 2 .2 4 4 .4 8 7 .1 2 9 .3 6
tempo (ore) te m p o (o re )

24 Nov 2005 W(H)YDOC 2005 15

 Chemical debonding & Mechanical debonding
Weathering Test Device (WTD, Castellanza 2002):

Vertical displacement

Axuial pH Output
stress

Radial stresses Specimen :

diameter 55,7 mm,
height 22 mm

FLUSSO ACIDO

pH Input

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 Experimental results (WTD)

0,004
0,0035
0,003
[H3O+] (mol/l)

0,0025
WTD
0,002
plexiglas
0,0015
0,001
0,0005
0
0.00 1.12 2.24 3.36 4.48 6.00 7.12 8.24 9.36
tempo (ore)

24 Nov 2005 W(H)YDOC 2005 17

 Numerical simulation (WTD)
0,004
0,0035
0,003

[H3O+] (mol/l)
0,0025
numerico
0,002
sperimentale
[H3O+] (t): 0,0015
0,001
0,0005
0
0.00 2.24 4.48 7.12 9.36
tempo (ore)

Vertical displacements: Horizontal stresses:

1,2 250

sforzo orizzontale (kPa)

1
200
cedimento (mm)

0,8
150 numerico
numerico
0,6 sperimentale
sperimentale 100
0,4
50
0,2
0
0
0.00 2.24 4.48 7.12 9.36 12.00
0.00 2.24 4.48 7.12 9.36 12.00
tempo (ore)
tempo (ore)

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 2D Numerical simulations
Weathering induced settlements of shallow foundations

L
B
h

b
l

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 CONSTANT
LOAD
ACID
FLUX

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 Water
reservoir
foundation

V
∆Hi

∆Hu

Steady state condition:

∆Hi=∆Hu

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 ACID

WATER

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 Xd

Plastic
strains

settlements

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 Conclusions

How can we cope with…

• Simplicity? OK

• Usefulness for qualitative predictions? OK

?
• Usefulness for real case? Kind of coupling…
Numerical tools…
Mass balance…

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Thank you (EN) Kiitos (FI)
Ευχαριστω (GR)
Grazie (IT)
Tänan (ET) Dank u (NL)
Gracias (ES)
Merci (FR) Multumesc (RM)
Takk (NO)
Dìky (CZ)
Danke (DE)
Obrigado (PT)
Dziękuję (PL) Tak (DN)
Vdaka (SL)
Go rahibh maith agait (IR) Tack (SW)
24 Nov 2005 W(H)YDOC 2005 43