Professional Documents
Culture Documents
Computers and Geotechnics 2017 PDF
Computers and Geotechnics 2017 PDF
Research Paper
a r t i c l e i n f o a b s t r a c t
Article history: This paper describes a thermo-hydro-mechanical framework suitable for modelling the behaviour of
Received 30 December 2016 unsaturated soils. In particular, this paper focuses on bentonite clay subjected to a thermo-hydro-
Received in revised form 29 June 2017 mechanical load, as in the case of nuclear waste engineering barriers. The paper gives a theoretical
Accepted 26 July 2017
derivation of the full set of coupled balance equations governing the material behaviour as well as an
Available online 11 August 2017
extended physical interpretation. Finally, a finite element discretisation of the equations and number
of simulations verifying their implementation into a custom finite element code is provided. Some
Keywords:
aspects of the formulation are also validated against experimental data.
Finite element method
Multiphase flow
Ó 2017 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
Bentonite (http://creativecommons.org/licenses/by-nc-nd/4.0/).
THM behaviour
Nuclear waste repositories
1. Introduction radioactivity and chemical reactions, though these factors are not
included in this study.
In some engineering applications the understanding of unsatu- A significant body of research accumulated for these sealing
rated soil behaviour becomes inevitably important and necessary materials (e.g. [3,4]), which generally agree that the modelling
for an effective design. A pronounced example is the case of ben- should consider the fully coupled (chemo)-thermo-hydro-
tonite which is the material of choice for engineering barriers mechanical behaviour of bentonite. This paper presents a physical
due to its very low permeability, relative resistance to chemicals framework which can be extended to include chemical effects and
and swelling behaviour upon wetting. For instance, bentonite is radioactivity effects. The framework is general and suitable for
used as barriers for nuclear waste disposal sites where safety spec- unsaturated soils and geomaterials. It can also be used for porous
ifications are especially strict [1,2]. Ideally, barriers should be materials, as each constitutive equation can be easily replaced by
nearly impermeable, self-healing (so the influence of cracks and another formulation more suitable for given application.
initial imperfections is minimised) and possess properties such Experience gained in different scientific disciplines [3,5–8] sug-
that the surrounding environment remains unaffected by radioac- gests that the finite element method is one of the best methods to
tive waste materials for a very long time, typically tens of thou- numerically solve such a coupled system of equations. This study
sands of years. A suitable barrier material design requires presents in details the coupled physical formulation, finite element
prediction of complex behaviour under high temperature gradient, discretisation and implementation of the thermo-hydro-
hydraulic processes and development of gas pressure. The design mechanical equations governing the behaviour of porous geomate-
also requires prediction of the self-healing properties obtained rials. This paper also discusses Barcelona Basic Model (BBM) [9]
due to swelling upon wetting and high pressure state in the and its thermo-mechanical extension [10].
material. Nonetheless, the developed swelling pressure should Finally, this paper provides verification and validation against
not be too high, as that could adversely affect the containers for analytical solutions, well-established THM code (CODE_BRIGHT
the nuclear material. Finally, the material is also affected by [11]) results, and experimental data. The numerical results are sat-
isfactory from the point of view of matching theoretical solutions
and approaching real physical behaviour.
Despite focusing on bentonite behaviour, the described physical
⇑ Corresponding author.
framework is general and may be used for simulation of THM
E-mail address: ayman.abed@aalto.fi (A.A. Abed).
http://dx.doi.org/10.1016/j.compgeo.2017.07.021
0266-352X/Ó 2017 The Authors. Published by Elsevier Ltd.
This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 133
Nomenclature
i RH relative humidity
e Euler’s number or Napier’s constant r BBM parameter
F yield function S degree of saturation
f Tv thermal enhancement factor g
Sdry gas degree of saturation at completely dry system
fu external forces vector, M L1 T2 g
Sres gas degree of saturation at the residual state
G shear modulus, M L1 T2
Slabs absorbed portion of degree of saturation
g earth gravity acceleration, L T2
Slres degree of saturation at the residual state
ga ; gn ; gm van Genuchten curve fitting parameters
H Henry’s volumetric coefficient of solubility Slsat degree of saturation at full saturation
Hc Henry’s constant, M L1 T2 s suction, M L1 T2
hg gas pressure head, L T absolute temperature, H
bg To reference absolute temperature, H
h nodal gas pressure head, L
T ref temperature equals to 273.16 K, H
hw water pressure head, L
bw b
T Nodal temperature, H
h Nodal water pressure head, L
jik non-advective flux of component k, M L2 T1 T average temperature, H
K material bulk modulus, M L1 T2 t boundary traction vector, M L2 T2
k BBM parameter t time, T
Kg gas phase hydraulic conductivity, L T1 trðÞ trace operator
g
K dry gas phase dry hydraulic conductivity, L T1 b
u Nodal displacements, L
u solid matrix displacement vector, L
gas phase dry intrinsic permeability, L2
g
kdry
t specific volume
K l
liquid phase hydraulic conductivity, L T1 vi velocity of phase i, L T1
K lsat liquid phase saturated hydraulic conductivity, L T1 vv Mass flow factor
l
kref liquid phase reference permeability, L2 X storage for system unknowns
z vertical position, L
liquid phase saturated intrinsic permeability, L2
l
ksat
l length, L
L latent heat of water vaporization, L2 T2 Greek
M ij ; K ij ; f i terms being defined in Appendix B a BBM non-associate plasticity coefficient
M material stiffness matrix ao ; a2 elastic thermal strain parameters
M slope of critical state line a1 ; a3 parameters control thermal effects on preconsolidation
1 pressure
Ma molar mass of dry air, M mol
1 aj parameter controls j value
Mw molar mass of vapour, M mol
m auxiliary vector, {1, 1, 1, 0, 0, 0} ajs1 ; ajs2 parameters control js value
Na basis function aswell material hydraulic parameter
Nb shape function bsp coefficient of solid particles compressibility, M1 L T2
n normal vector bsT coefficient of volumetric thermal expansion of solid par-
n porosity ticles, H1
nref reference porosity bwp coefficient of water compressibility, M1 L T2
Patm atmospheric pressure, M L1 T2 bwT coefficient of volumetric thermal expansion of water,
Pg total gas pressure, M L1 T2 H1
Pl liquid pressure, M L1 T2 b BBM parameter, M1 L T2
Pv vapour partial pressure, M L1 T2 D increment
po isotropic preconsolidation pressure, M L1 T2 e strain vector
p mean net pressure, M L1 T2 e_ e total elastic strain rate vector
poref reference mean pressure, M L1 T2 e_ se elastic strain rate due to suction
po saturated isotropic preconsolidation pressure at refer- e_ re elastic strain rate due to net stress vector
ence temperature, M L1 T2 e_ Te elastic strain rate due to temperature
e_ p plastic strain rate vector
134 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
the soil porosity n whereas the solid phase occupies the remaining 2.1.1. Mass balance of solid component
s
volume fraction / ¼ ð1 nÞ. The liquid degree of saturation S l Similarly to the derivation of Eq. (2), the mass balance equation
measures the void volume fraction occupied by the liquid phase for solid component is:
/l ¼ nSl whereas the gas degree of saturation S g measures the void @ ð/s qs Þ
volume fraction occupied by the gas phase / g ¼ nS g with con- þ $ ð/s qs v s Þ ¼ 0; ð3Þ
@t
l g
straint S þ S ¼ 1. This paper adopts the compositional approach
where the solid particle density qs is commonly taken as a function
of [16,17] for developing the balance equations, while the mass
of the mean net pressure p and the absolute temperature T [18]:
conservation is considered for each component instead of each
phase. As a consequence, the mass balance during phase transition bsp pporef bsT ðTT o Þ
is implicitly taken into account without the need for special q ¼q e
s so
; ð4Þ
treatment. so
where q is a reference solid particle density at a reference mean
The general mass balance equation for the component k in net pressure poref and a reference absolute temperature T o . The solid
phase i is expressed as [7,16,18]:
particle compressibility is taken into account through the coeffi-
cient bsp , while the soil density variation with temperature is con-
@ /i qi xik
þ $ /i qi xik v i þ trolled by the volumetric thermal expansion coefficient bsT . In
i
$j ¼ Q ik ð1Þ
|fflfflfflfflfflfflfflffl@t
{zfflfflfflfflfflfflfflffl} |fflfflfflfflfflfflfflfflfflfflfflffl{zfflfflfflfflfflfflfflfflfflfflfflffl} |ffl{zffl}k |{z} general, the solid density increases with pressure and decreases
nonadv ection sink=source
storage adv ection with increasing temperature. The evolution of solid density in time
can be described using the chain rule,
where the symbols /i and qi denote volume fraction and density of
the phase i (i ¼ s; l; g). The mass fraction of component k in the i- @ qs @ qs @p @ qs @T @p @T
¼ þ ¼ bsp qs bsT qs ð5Þ
phase is expressed by xik ¼ qik =qi . The phase-velocity vector is rep- @t @p @t @T @t @t @t
resented by v i whereas jk is the non-advective flux vector of the
i
On expanding the time derivative and divergence operator in
component k. The gradient is denoted by $ and the inner product Eq. (3) and noting that /s ¼ ð1 nÞ,
is denoted by the dot. The combined symbol ‘‘ $ ” is the divergence @ qs @n
operator. ð1 nÞ qs þ ð1 nÞqs $ v s þ ð1 nÞv s $qs
@t @t
Eq. (1) describes mass transport carried out by advection (nor-
þ qs v s $ð1 nÞ ¼ 0 ð6Þ
mal fluid flow) and non-advective mechanisms (e.g., diffusion or
dispersion). Additionally, the soil can store or lose fluid mass over Assuming slow deformation velocity of the solid matrix, that is
time (e.g., due to mechanical deformations). It also shows through v s 0 and employing Eq. (5), porosity variation over time reads:
the term Q ik that a component may gain or lose mass directly by
@n @p @T
the existence of sources or sinks in the studied domain, e.g., due ¼ ð1 nÞ $ v s þ bsp bsT ð7Þ
@t @t @t
to chemical reactions.
For a reference unit volume, the sum of volume fractions over Furthermore, by employing the definitions of solid matrix
P
the three phases equals unity, that is, 3i /i ¼ 1. Furthermore, the velocity v s and the infinitesimal volumetric strain ev , the diver-
sum of the mass fraction over m components in a certain phase gence of solid matrix velocity $ v s can be linked to the rate of vol-
P umetric strains as follows:
equals one, i.e., m k xk ¼ 1, where m ¼ 2 for gas and liquid phase
i
and m ¼ 1 for solid phase. In order to ensure mass balance, the @u @u @ ð$ uÞ @ ev
vs ¼ ev ¼ $ u ! $ v s ¼ $
yields
sum of the non-advective terms within one phase vanishes such ; ¼ ¼ ð8Þ
P i @t @t @t @t
that m k j k ¼ 0 and in the absence of any external sink or source
P where u is the solid matrix displacements vector. Hence, the evolu-
in the domain, the sum 3i Q ik for the component k over all three
tion of soil porosity in time is:
phases also vanishes. The equation of mass conservation for one
phase may be constructed by the summation of the equations of @n @ ev @p @T
¼ ð1 nÞ þ bsp bsT ð9Þ
each component in the corresponding phase. As a consequence of @t @t @t @t
Eq. (1) and the aforementioned discussion, the mass balance equa-
This expression implies that soil porosity is affected by varia-
tion for the i-phase becomes:
tions in soil temperature, mechanical pressure on solid grains,
and mechanical deformations of the soil matrix. This is especially
@ /i qi
þ $ /i qi v i ¼ 0 ð2Þ important, as this is the main source of mechanical coupling in
@t the governing balance equations. However, due to the negligible
136 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
effect of the compressibility of soil solid grains in comparison to @ qlw @ qlw @T @ qlw @pw @hw @T 2 @hw
¼ þ ¼ bwT qlw þ bwp g qlw ; ð17Þ
the contributions of other terms in Eq. (9), the simplification @t @T @t @pw @hw @t @t @t
bsp ¼ 0 is adopted subsequently.
where g denotes the earth gravity acceleration.
2.1.2. Mass balance of water component
Writing the mass balance equation (1) for the water component 2.1.2.2. Degree of saturation and hydraulic conductivity. In the case
ðk ¼ wÞ in the three phases i ¼ l; g; s yields the following global of a partially saturated soil, the water degree of saturation depends
water mass balance equation: on suction and other factors including temperature and soil dry
density [20,21]. For the scope of this paper, only the influence of
@ /l ql xlw suction and temperature on the degree of saturation is considered,
þ $ /l ql xlw v l þ $ jw þ
l
@t
|fflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflffl{zfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflffl} i.e. Sl is a function of w and T only. The matric suction head w is
water in liquid phase defined as the difference between the gas pressure head hg and
@ ð/ g q g xwg Þ the pore-water pressure head hw ,
þ $ / g q g xwg v g þ $ jw þ
g
0
|{z} ¼0 ð10Þ
@t
|fflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflffl{zfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflfflffl}
water in gas phase
water in solid phase w ¼ hg hw ð18Þ
The hydraulic conductivity coefficient K l (see Section 2.1.2.4), is In the above equations T is estimated in Kelvin,
also a function of temperature and saturation. Great many empir- R ¼ 8:3144 J=mol=K is the universal gas constant and
ical expressions can describe this relationship [24]. However, [25– Mw ¼ 0:018016 kg=mol is the molar mass of vapour. Other equally
27] suggest that the following formula provides an acceptable fit- valid empirical formulas are available in literature [4], all of these
ting of the physical measurements for bentonite: correlations provide excellent fit to the experimental data.
!3 Employing Eqs. (33), (34) in (32) yields the following formula for
Sl Slres the variation of water vapour density over time:
K l ¼ K lsat ð25Þ
Slsat Slres @ qwg @ qwg @T @ qwg @w @hw @ qwg @w @hg
¼ þ þ
@t @T @t @w @hw @t @w @hg @t
where K lsat is the hydraulic conductivity at full saturation in terms of g
l qw gM w w @T qwg gM w @hw @hg
saturated intrinsic permeability ksat as follows: ¼ 2 4974:0 þ þ ; ð35Þ
T R @t RT @t @t
l l
gq w ksat
K lsat ¼ ð26Þ showing that the vapour density is affected by the temperature and
ll suction variations in the soil.
where ll is the liquid dynamic viscosity. In case of water, the viscos-
ity is considered to be temperature dependent according to the fol- 2.1.2.4. Advective liquid and gas flow. The advective fluid flux obeys
lowing empirical formula [28]: Darcy’s phenomenological law, where the fluid mass flows propor-
247:8
tionally to the fluid total potential gradient. For liquid phase, the
ll ¼ 243:18 107 10T140 ð27Þ flux is:
¼ 103 e19:891
4974:0
g
qwo T ð34Þ where
138 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
formula to use. fully determined and discussed in details in Section 2.1.2.5. For
As an alternative, Fick’s law can be used to model the vapour the sake of simplicity, the density of dissolved dry air in water qla
diffusion process [37]. The advantage of Fick’s law is that it
is assumed to be equal to the density of the pore-dry air qag [38].
requires fewer parameters. However, it does not explicitly separate
Both will be indicated as qa in the remainder of this paper. For a
the effects of temperature and moisture concentration on vapour
slowly deforming soil with v s 0 and taking into account Eq.
diffusion. Therefore the model of Philip and De Vries has been
(13), Eq. (45) takes the form
implemented as it allows for physically meaningful separation of
temperature and moisture concentration effects which leads to a
@ nS g qa @ nHSl qa
better fit of experimental data. þ þ $ ðqa q g Þ þ $ qa Hql
@t h @t
i
þ qa S g þ HSl $ v s $ jw ¼ 0
g
ð54Þ
2.1.2.6. Adopted mass balance equation of water component. By
introducing the information in Sections 2.1.2.1–2.1.2.4 and
Upon expanding and re-arranging,
2.1.2.5 into Eq. (15) and rearranging terms, the mass balance equa-
tion of water component finally reads: h i
h @T q a
iS g þ HSl @n h i @q
" nqa S g þ HSl bsT þ þ n S g þ HSl a
@Sl @t 1n @t @t
n qlw qwg ð1 nÞ Sl qlw þ S g qwg bsT nSl bwT qlw
@T @Sl @H @T
þ nqa ½H 1 þ nqa Sl þ $ ðqa q g Þ
g
@t @T @t
qw gM w w @T
þnS g 2 4974 þ g
þ $ qa Hql $ jw ¼ 0 ð55Þ
T R @t
" #
l 2 q
g w
g
gM w
l l
g @S @hw
þ nS bwp g qw þ nS
l
n qw qw The most important terms in the above equation will be dis-
RT @w @t
" # cussed in more details in the following sections.
@S l
qw gMw @hg l l
g @e
v
þ n qlw qwg nS g þ S qw þ S g qwg 2.1.3.1. Henry’s volumetric coefficient of solubility. Based on the
@w RT @t @t
g
law of ideal gas, the Henry’s volumetric coefficient of solubility is
þ $ qlw ql þ $ qwg q g þ $ jw ¼ 0 ð49Þ [39]
Therefore, soil water content is affected by temperature, pore- qlw RT
water pressure, pore-gas pressure, mechanical deformation of the H¼ ; ð56Þ
Hc M w
solid matrix, and advection and diffusion processes.
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 139
where Hc ¼ 1010 pa is the Henry’s constant [40]. The value of H var- convection. The rate of water vapour production Q wg can be deter-
ies over time in response to the variation in water pressure head hw mined depending on Eq. (1) as:
and temperature T according to the following formula:
@ nS g qwg
þ $ nS g qwg v g þ $ jw
g
@H @H @ q @pw @hw @H @T
l Q wg ¼ ð63Þ
¼ l þ w
; ð57Þ @t
@t @ qw @pw @hw @t @T @t
after substituting the terms with the corresponding formulas and
yielding doing the derivation, Eq. (63) reads:
@H @hw 1 @T @T @ ev @Sl @ qwg
¼ g qlw bwp H þ bwT H ; ð58Þ Q wg ¼ ð1 nÞS g qwg bsT þ S g qwg nqwg þ nS g
@t @t T @t @t @t @t @t
g
showing that the ratio of dry air dissolution in liquid phase is not þ $ qwg q g þ $ jw ð64Þ
constant but varies over time. By considering Eq. (58), the The important terms in the enthalpy balance equation are
current formulation of dry air mass balance equation and energy explained in more detail in the following subsections.
balance equation in Section 2.2 is more accurate compared to
previous formulations which tend to assign a constant value for 2.2.1. Soil heat capacity
H. The general form of the soil heat capacity is [28]
2.1.3.2. Density of dry air. The density of dry air derived in Sec- Uh ¼ /i qi xik EiTk ð65Þ
tion 2.1.2.4 assumes that dry air behaves as an ideal gas. To inves-
tigate further the effects of the variation of dry air density over The thermodynamic state function EaTk for internal energy of
time, differentiation of Eq. (41) yields: component k in phase i is given as [18]:
›qa ›qa ›hg ›qa ›qgw
¼ þ g ; ð59Þ EiTk ¼ cik T ik T iko ð66Þ
›t ›hg ›t ›qw ›t
which after mathematical manipulation gives where cik is the specific heat capacity of component k in phase i. It is
assumed that the different components in the soil are in thermal
@ qa M a qlw g M a qwg gM w @hg Ma qwg gMw @hw
¼ þ equilibrium which yields T ik ¼ T and T iko ¼ T o . By expanding Eq.
@t RT M w RT @t Mw RT @t
(65) with the assumption that dissolved air in water has similar
M a qwg gM w w @T
4974 þ ð60Þ specific heat capacity to the dry pore-air, the soil heat capacity is
Mw T 2 R @t
expressed as:
This shows that the evolution of dry air density in time is a
h i
function of the changes in gas pressure head, liquid pressure head Uh ¼ ð1 nÞqs cs þ n HSl þ S g qa ca þ nSl qlw clw þ nS g qwg cwg ðT T o Þ
and temperature.
ð67Þ
2.1.3.3. Adopted dry air mass balance equation. After introducing the
information in Sections 2.1.3.1 and 2.1.3.2 into Eq. (55) and rear- 2.2.2. Heat flux
ranging the terms, the dry air component mass balance equation The total heat flux includes: (i) part coming from the direct con-
reads duction of heat by soil particles, (ii) part related to the convection
"
of heat by liquid water flow and (iii) part due to the contribution of
@Sl @H
nqa ½H 1 þ nqa Sl gas phase in the convection of heat. The total heat flux can be writ-
@T @T
ten as:
h i h i M qg
gM w w @T
a w
ð1 nÞqa S g þ HSl bsT n S g þ HSl 4974 þ
Mw T 2 R @t qh ¼ qT þ qi xik EiTk qi þ
i
EiTk jw ð68Þ
" # |{z} |fflfflfflfflfflffl{zfflfflfflfflfflffl} |ffl{zffl}
h i M q g gM @S l
@H @hw
a w conduction conv ection by liquid phase conv ection by gas phase
n S g þ HSl w
þ nqa ½H 1 nqa Sl
Mw RT @w @hw @t
" #
h iM ql g M q g gM @Sl @hg
where qT is the conductive heat flux:
a w a w
þ n S g þ HSl þ w
þ nqa ½H 1
RT M w RT @w @t qT ¼ kT $T ð69Þ
h i @e
v g
þ qa S g þ HSl þ $ ðqa q g Þ þ $ qa Hql $ jw ¼ 0 ð61Þ The soil conductivity kT is assumed to be a function of the soil
@t
degree of saturation. The second and third terms in Eq. (68)
account for the heat convection by the liquid water advection, as
2.2. Energy balance equation well as the air and water vapour diffusion. Finally, Eq. (68) yields
an expression for the total heat flux:
The enthalpy balance equation is given as [4,7,41,42]
ð62Þ
2.2.3. Adopted energy balance equation
where Uh is the soil heat capacity, L is the latent heat of water Assuming that each component has a constant specific heat
vaporization, and qh is the heat flux including conduction and capacity, the final form of the energy balance equation is:
140 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
þ qw cw þ qa ca H ql þ cwg ca jw $T of Eqs. (49), (61), (71) and (73). The soil response to the applied
g force represented by the material stiffness matrix M is heavily
þ cwg ca ðT T o Þ$ jw ð72Þ
dependent on the applied stress-strain relationship, due to:
and Z Z
h i b dX ¼
M $N b d u drdX ð78Þ
A ¼ qs cs þ HSl qa ca þ S g qa ca þ Sl qlw clw þ S g qwg cwg ðT T o Þ X X
which also shows that a stress integration over a load step should
B ¼ ½ð1 nÞqs cs ðT T o Þ be performed during mechanical balance calculations by employing
a suitable constitutive model and numerical stress integration tech-
C ¼ Hqa ca qa ca þ qlw clw qwg cwg ðT T o Þ nique. In this paper, a slightly modified version of the well-known
Barcelona Basic Model (BBM) is adopted [45–47]. The modification
h i is introduced to account for the thermal effects and the dependency
D ¼ n HSl qa ca þ S g qa ca þ Sl qlw clw þ S g qwg cwg þ ð1 nÞqs cs
of the elastic parameters on suction and net stress. Both implicit
Note that the adopted energy balance equation does not take [48–50] and explicit scheme with error control [51–55] could be
into account e.g. plastic work in the material which is normally used to integrate the constitutive stresses. In what follows, only
transferred into heat, or energy loss related to water flux. Those the mathematical formulation of the constitutive model is pre-
terms are normally negligible compared to the mentioned sented whereas the numerical integration details are omitted due
components. to space limitations.
2.3. Static balance of linear momentum 2.3.1. BBM with thermal effects
The elastoplastic Barcelona Basic Model [9] is based on the
The local static mechanical balance equation is given as: Modified Cam Clay model [56], and can be viewed as its extension
which accounts for unsaturated soil behaviour. BBM uses net stress
$ rtot þ b ¼ 0 ð73Þ r ¼ rtot mT Pg and suction s ¼ qlw gw as the independent stress
where r and b stand for the total stresses and the body forces at a
tot variables. At full saturation, the net stresses are replaced by the
certain point of the domain, respectively. The body forces are usu- effective stress definition r ¼ rtot mT P l with s ¼ 0 and P l is the
ally due to the self-weight which is related to the density. For unsat- pore-water pressure. Potential numerical difficulties upon transi-
urated soil, the bulk density can be estimated as: tion from unsaturated soil state to the full saturation are reported
in literature [39,57]. Wheeler et al. [58] showed that for a certain
qb ¼ nS g q g þ nSl ql þ ð1 nÞqs ð74Þ combination of parameters, BBM yield surface might suffer non-
By defining the net stress r as the difference between total convexity and consequently higher possibility for numerical com-
stress rtot and the fluid pressure P i , where i ¼ g in unsaturated plication near saturation. However, we have not encountered any
state and i ¼ l at full saturation with suction = 0 (here, the net problems thus far related to transition between saturated and
stress becomes equal to the Terzaghi’s effective stress), Eq. (73) unsaturated regimes, possibly due to the choice of time-stepping
is exploited to derived the following incremental virtual work scheme. Should any numerical problems related to the transition
equilibrium equation over domain X [43,44]: between saturated and unsaturated regimes be observed, algorith-
Z Z mic solutions are available [39,57].
deT drdX þ dPi mT dedX ¼ df u ð75Þ The presented formulation currently uses total stresses and suc-
X X tion, as opposed to the effective stresses. As indicated in [59,60],
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 141
j ¼ jo ð1 þ aj sÞ
" !#
p ð85Þ
js ¼ jso 1 þ ajs1 ln eajs2 s
pcref
ðao þ a2 ðT T o ÞÞT_
e_ Te ¼ ð86Þ
3
In Eqs. (85) and (86), the parameters aj , ajs1 , ajs2 , pcref , ao and a2
are material constants. They are responsible for the elastic
Fig. 2. 3D representation of the yield surface in BBM at a constant temperature.
response of the material to any change in suction, net stress, or
temperature.
formulations based on the effective stress or the total stress are
equivalent. As such the use of total stress may be viewed as a mat- 2.3.1.2. BBM in plasticity. As depicted by Fig. 2, a 3D representation
ter of preference. Furthermore, the presented framework may of the yield surface of BBM is
easily accommodate constitutive models formulated in terms of F ¼ q2 M2 ðp þ ps Þðpo pÞ ¼ 0 ð87Þ
effective stress using the transition technique given by [59,60].
where M is the slope of critical state line and q stands for the devi-
2.3.1.1. BBM in elasticity. The rate of total strain e_ in BBM is decom- atoric stress:
posed into the elastic e_ e and the plastic part e_ p : qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
1
q ¼ pffiffiffi ðr1 r2 Þ2 þ ðr2 r3 Þ2 þ ðr3 r1 Þ2 ; ð88Þ
e_ ¼ e_ e þ e_ p ð79Þ 2
The rate of the elastic strain e_ e is decomposed further into the where r1 , r2 and r3 are the principal stresses. The trace of the yield
elastic strain rate due to the net stress, e_ re , the elastic strain rate surface in the plane q ¼ 0 is the Loading Collapse (LC) curve. The
related to the suction change e_ se and the elastic strain rate due to plastic strain direction is determined using a plastic potential
function
thermal effects e_ Te . It is assumed that suction and temperature
introduce only volumetric deformations: Q ¼ aq2 M2 ðp þ ps Þðpo pÞ ¼ 0 ð89Þ
e_ e ¼ e_ re þ mT e_ se þ mT e_ Te ð80Þ The factor a which allows for the recovery of the Jaky’s approx-
imation [63] of coefficient of at rest soil pressure K 0 in 1D compres-
Thus, the elastic net stress rate can be calculated as:
sion, is defined as
r_ ¼ De e_ re ¼ De e_ mT e_ se mT e_ Te ð81Þ M ðM 9ÞðM 3Þ k
a¼ ; ð90Þ
e
where D is the elastic stiffness matrix 9ð6 M Þ kj
2 3 where k is the slope of normal consolidation line.
K þ 4=3G K 2=3G K 2=3G 0 0 0
6 K þ 4=3G K 2=3G 0 07
0
Extended BBM assumes, see Fig. 3, that the soil shear strength is
6 7
6 7 affected by suction and temperature as follows [10]
6 K þ 4=3G 0 0 0 7
D ¼6
e
6
7 ð82Þ
6 G 0 077
6 7
4 sym G 05
G
with
tp 3K ð1 2mÞ
K¼ ; G¼ ð83Þ
j 2ð1 þ mÞ
In the above formulation K and G are the bulk and the shear
modulus respectively, t stands for the soil specific volume, j for
the soil swelling index, m is the Poisson’s ratio and p ¼ trðrÞ=3 is
the mean (isotropic) net pressure. The strain rate is related to the
suction change via
js s_
e_ se ¼ ; ð84Þ
3v ðs þ Patm Þ
where P atm is the atmospheric pressure and js is the soil swelling
index with respect to the suction variation. In order to account for
the swelling nature of some soils, the elastic stiffness is made pres- Fig. 3. 3D representation of the yield surface in BBM at a constant suction and
sure dependent as follows [27]: varying temperature.
142 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
qT DT
ps ¼ kse ; ð91Þ 3. Numerical implementation
where qT and k are material constants. The soil preconsolidation The previously described balance equations (49), (61), (71) and
pressure po is also considered to be suction and temperature depen- (73) are discretised using the finite element method
dent through the equation [10] [3,4,7,8,28,41,65–70], transforming them into an equivalent sys-
kkjj tem of first-order ordinary differential equations:
poT s
po ¼ pc ð92Þ 2 32 d ub
3 2 32 u
b
3
pc M uu M wu M gu 0 0 0 0 0
6M 6 7
bw 7 6 0 K 7 b 7
6
6 uw M ww M gw M Tw 7
76 dh ww K gw K Tw 76 h w 7
with 6 76 7þ6
6 76 7
4 M ug M wg M gg M Tg 56 b 7 6b 7
4 d h g 5 4 0 K wg K gg K Tg 54 h g 5
a D e_ þ c1 a D b1 s_ þ c2 a D b2 T_
T e T e T e
ation j þ 1
K_ ¼ ; ð98Þ
aT De g d iþ1
@Rjþ1
Aiþ1
jþ1 ¼ ð106Þ
where @X iþ1
jþ1
@F js
a¼ ; b1 ¼ m ; b2 The global error tolerance of Tol ¼ 104 which applies for every
@r 3v ðs þ Patm Þ residual in the solved system, is used for the purposes of this study.
ðao þ a2 DT Þ @F @F This formulation is implemented into a FE code using NUMERRIN
¼m ; c1 ¼ ; c2 ¼ ; d
3 @s @T numerical solver [68]. The implementation includes special logical
@F @Q @Q switches coded which allows to choose the balance equations to be
¼ v mT ; g¼ ð99Þ
@ ep @r @r coupled in Eq. (102) and used in the subsequent formation of resid-
uals in Eq. (104). For example, if the problem is isothermal, energy
Substituting Eqs. (84), (86) and (97) into Eq. (96) yields the net balance Eq. (71) is not solved and no corresponding residual is
stress rate: formed. In such a case the temperature has a constant value in
the whole solution domain equal to the initial temperature. In
js ðao þ a2 DT Þ _
r_ ¼ De e_ De mT s_ þ De mT T the remainder of this paper, the implemented code is referred to
3v ðs þ Patm Þ 3
as ‘‘Aalto Code”. The following sections illustrate numerical results
_ @Q
De K ð100Þ that are generated using Aalto Code and compared to known ana-
@r lytical solutions and experimental data.
Finally, the preconsolidation pressure is updated like:
v e_ vp
4. Verification and validation of the implemented code
po ¼ poi ekj ; ð101Þ
As a general rule, the finite element mesh in each example is
where poi is the initial preconsolidation pressure and e_ vp ¼ tr e_ p is first subjected to a convergence study and refined accordingly to
the plastic volumetric strain rate. avoid any visible dependency of the numerical results on the num-
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 143
Fig. 4. One dimensional infiltration problem: (a) FE model; (b) hydraulic boundary conditions.
Sl ¼ Slsat Slres enw þ Slres ð108Þ
1
wðz; t Þ ¼ lnðBÞ ð109Þ
n
where
!
qinf qinf
B¼ 1 ez
K lsat K lsat
4qinf ðl z Þ t
X1 2
sinðki z Þsinðki l Þeki t
e 2 e 4 l ; ð110Þ
K lsat i¼1 1 þ 2 þ 2k2i l
ber of elements or the time step size. The results shown here th
In the above solution ki represents the i root of the character-
mainly concentrate on the validation of coupled phenomena. Extra
istic equation:
verifications related e.g. to the mechanical model can be found in
[55]. tan ðkl Þ þ 2k ¼ 0 ð112Þ
4.1. Verification: uncoupled one dimensional infiltration A soil with a saturated permeability of K lsat ¼ 0:1 m=day and
n ¼ 5:0 ½1=m is used to generate the numerical results. The resid-
Srivastava and Yeh [71] derived an uncoupled analytical solu- ual and saturated degrees of saturation are Slres ¼ 0:23 and
tion for Eq. (49) for the case of one dimensional infiltration into a Slsat ¼ 1:0, respectively. For the purposes of this example, only the
soil with particular relative permeability and water retention mass balance equation of water component is used in Eq. (102)
curves of the forms: and the subsequent formation of residuals in Eq. (104). The tem-
perature is kept constant at 20 °C throughout the solution time
K l ¼ K lsat enw ð107Þ
with atmospheric gas pressure, minimal initial stress of 1.0 kPa
144 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
Fig. 6. One dimensional heat flow problem: (a) FE model; (b) thermal boundary conditions.
Table 1
Used parameters in the 1D heat flow example.
and a constant porosity n ¼ 0:4. On top of that, for this particular impermeable, to represent 1D conditions. An infiltration rate of
case of 1D infiltration test, Eqs. (107) and (108) are used instead qinf ¼ 0:005 m=day is applied at the top boundary of the domain
of Eqs. (25) and (20) to represent the relative permeability curve while a ground water table is located at 1:0 m below ground sur-
and soil water retention curve of the soil. face, modelled by imposing a zero water head at the bottom bound-
Fig. 4 describes the mesh and boundary conditions used in this ary. Fig. 5 shows an excellent agreement between the numerical
verification example. The vertical hydraulic boundaries are results and the analytical solution for this particular problem.
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 145
ffi
pffiffiffiffi rffiffiffiffiffiffiffiffi
z xc xc
T ðz; tÞ ¼ T þ Ao e 2kT
sin xt z ; ð114Þ
2kT
where T ðz; tÞ is the soil temperature at depth z and time t. This solu-
tion is valid only for the boundary conditions with a sinusoidally
varying temperature at the soil surface:
On neglecting coupling effects and vapour flow, the energy bal- 4.3. Validation of coupled THM behaviour: infiltration tests using
ance Eq. (71) reduces to the following form in one dimensional FEBEX bentonite
case:
Villar et al. [73] performed two hydration tests on FEBEX ben-
@T
c $ qT ¼ 0 ð113Þ tonite using cylindrical cells with an inner diameter of 0:07 m
@t
and a useful height of 0:4 m. The cells are made of Teflon PTFE in
with the volumetric soil heat capacity c ¼ ð1 nÞqs cs þ nqlw cw for order to ensure maximum lateral thermal insulation. Additionally,
saturated soil. By assuming a constant soil thermal conductivity the cells are externally surrounded by semi-cylindrical steel pieces
kT and a constant volumetric soil heat capacity, Van Wijk and De to prevent the developed swelling pressure of the bentonite from
Vries [72] gave the following analytical solution for one dimen- causing any deformation of the cells (see Fig. 8). The bentonite in
sional heat flow: the cells had been statically compacted with an average com-
Fig. 9. Finite element model for isothermal infiltration test: (a) dimensions and control points locations; (b) hydraulic boundary conditions; (c) mechanical boundary
conditions.
146 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
4.3.1. Finite element model and material parameters and nTw ¼ 1:5E 3½1=K, taking into account the effect of temper-
Regarding the isothermal case, the finite element mesh consists ature on the soil water characteristic curve as explained in Sec-
of 175 quadrilateral 4-noded elements with four stress integration tion 2.1.2.2. The initial gravimetric water content of 0.14
points per element as depicted in Fig. 9(a). The bentonite is mod- corresponds to an initial degree of saturation of
elled as a BBM material accounting for thermal effects (see Sec- Slw ¼ xeGs ¼ 0:142:7
0:677
0:56 which correlates to the initial suction
tion 2.3.1), whereas the Teflon surrounding the sample is head of w ¼ 12000:0 m, see Fig. 11. The initial gas pressure is
modelled as a non-porous and linear-elastic material with an elas- assumed to be atmospheric. The top boundary is kept open to
ticity modulus of E ¼ 500:0 MPa and Poisson’s ratio of m ¼ 0:46 atmospheric pressure throughout the simulation, while all other
Fig. 10. Finite element model for non-isothermal infiltration test: (a) dimensions and control points locations; (b) hydraulic boundary conditions; (c) thermal boundary
conditions.
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 147
Table 3
FEBEX bentonite properties as used in the CIEMAT infiltration tests.
qlwo kg=m3 bwp ½1=pa qso kg=m3 bsT ½1=K bwT ½1=K
Fig. 12. Measured and calculated relative humidity in the case of isothermal infiltration.
Fig. 13. A comparison showing the effect of mechanical boundary conditions on the calculated relative humidity.
Fig. 14. Measured and calculated relative humidity in the case of non-isothermal infiltration. Both with and without considering the effect of temperature on the soil water
retention curve.
Fig. 15. The evolution of measured and calculated temperature in the case of non-isothermal infiltration.
Fig. 16. Measured and calculated relative humidity evolution for the case of non-isothermal infiltration. Both with and without considering the effect of swelling on the water
hydraulic conductivity.
Fig. 17. Estimated swelling pressure at point A in the case of non-isothermal infiltration.
Fig. 18 shows that the total gas pressure remains around its initial the experiment specifications are available in [84]. That test
atmospheric values for this particular test. This behaviour is attrib- recorded the evolution of swelling pressure at different points of
uted to the open gas flow boundary at the top of the sample and to the sample over time providing excellent data to validate the
the relatively high gas permeability used in this analysis. numerical predictions, in particular with respect to hydro-
mechanical coupling. The experiment employs an infiltration col-
4.4. Validation of coupled HM behaviour: infiltration test using MX80 umn of useful diameter and height of 0.05 m and 0.25 m, respec-
bentonite tively. The MX80 bentonite in the column is compacted with
39 MPa compaction stress. The initial dry density is 1700 kg=m3
Marcial et al. [84] performed an infiltration test using MX80 at the initial gravimetric water content of 0.082 which corresponds
bentonite under constant volume conditions. Full details about to the initial suction of 103 MPa. The test is performed under
150 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
Fig. 18. Gas, water vapour, and dry air pressures at the lower end of the sample in the case of non-isothermal infiltration.
Fig. 19. Finite element model for MX80 infiltration test: (a) dimensions and control points locations; (b) hydraulic boundary conditions; (c) mechanical boundary conditions.
isothermal conditions with a constant temperature of 20 °C. In the 4.4.1. Finite element model and material parameters
experiment, the water, under pressure of 10 kPa, infiltrates the col- The finite element mesh consists of 300 quadrilateral 4-noded
umn from the base. Marcial et al. [84] recorded the evolution of elements with four stress integration points per element as
swelling pressure (vertical stress) versus suction at several points depicted in Fig. 19(a). The applied hydraulic and mechanical
along the column height (Point A at z ¼ 0:045 m, Point A1 at boundary conditions are shown in Fig. 19(b) and (c), respectively.
z ¼ 0:03 m and Point A2 at z ¼ 0:02 m) (see Fig. 19(a)). The study A free initial stress state is assigned to the column model (mini-
also provided the relative humidity at specific locations (Point A mum of 1:0 kPa). The bentonite is modelled as a BBM material
at z ¼ 0:045 m, Point B at z ¼ 0:095 m, Point C at z ¼ 0:145 m, Point (see Section 2.3.1) with the calibrated mechanical properties given
D at z ¼ 0:195 m and Point E at z ¼ 0:25 m (see Fig. 19(a)). The in Table 4. The parameters of MX80 are kept in the same range to
total test duration is about 7.0 months (208 days). that provided in literature [55,85,86]. Eq. (92) estimates a value of
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 151
Table 4 Fig. 20. The bentonite relative permeability in the simulation fol-
MX80 bentonite properties as used in the infiltration test.
lows Eq. (117) with K lsat ¼ 1:0 1013 m=s and calibrated
(a) Mechanical properties 8
aswell ¼ 3:0 10 . The saturated liquid water hydraulic conductiv-
m jo jso n ak aks1 aks2 ity is estimated based on the data provided by [84] and the exper-
0.3 0.03 0.3 0.4 9.0E6 0.28 0.0 imental data by [26].
Fig. 20. Fitted soil water retention curve for MX80 bentonite.
Fig. 21. Measured and calculated relative humidity at different points of the column.
152 A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155
Fig. 22. Measured and calculated swelling pressure at different points of the column.
5. Conclusions @Sl
g
¼ 1 þ ðg a jwjÞgn m ðA:1Þ
@Slso
This paper presents a new finite element implementation of a
newly proposed fully coupled thermo-hydro-mechanical frame- @Slso
work. The detailed mathematical formulations of the governing ¼ nTw ðA:2Þ
@T
equations for bentonite are discussed with an in-depth illustration
of underlying assumptions. An extended version of the Barcelona @Sl
1 2
¼ g m g n jwj Slso Slres ðg a jwjÞgn 1 1 þ ðg a jwjÞgn gn ðA:3Þ
Basic Model which incorporates thermal effects is reviewed along @g a
with a derivation of an explicit formula for the plastic multiplier.
All information used for the finite element discretisation and @g a 1:54 104
implementation are explained and discussed in detail. The code ¼ ga ðA:4Þ
@T rt
performance has been verified by comparing its results to known
@Sl g g Lnðg a jwjÞðg a jwjÞgn Ln 1 þ ðg a jwjÞgn
analytical solutions for water infiltration and heat flow. The ¼ Slso Slres 1 þ ðg a jwjÞgn m m
gn
hydro-mechanical coupling has also been verified with results pro- @g n 1 þ ðg a jwjÞ g 2n
duced by the well-established CODE_BRIGHT thermo-hydro-mec ðA:5Þ
hanically-coupled code. Finally, the code has been validated
@g n
against experimental results for isothermal and non-isothermal ¼ nTn g 2n ðA:6Þ
infiltration. The verification and validation indicate that the code @T
has been implemented correctly and may be used as a cornerstone
for further developments. This may be in the form of additional Appendix B
chemical coupling, as well as an extension of the formulation via
an improved hydraulic and mechanical constitutive model taking After transferring the strong formulation of the balance equa-
into account the microstructure effects, based on physically sound tions (49), (61), (71) and (73) into a weak integral formulation
assumptions. and then applying Galerkin’s weighted residuals method [93–95]
This paper clearly indicates the physical assumptions in the one gets the discretised form in the shape of system of coupled
THM framework and is intended as a single ‘how-to’ reference algebraic equations as shown in Eq. (102) where the equations
for THM coupling in bentonite as well as unsaturated soils or por- coefficients are determined as follows:
ous materials in general. Z
M uu ¼ ð$N b ÞT M $N b dX ðB:1Þ
X
Acknowledgment
0:0; w>0
M wu ¼ R ðB:2Þ
X ðN b Þ qw gm $N b dX; w ¼ 0
The authors would like to gratefully acknowledge that the pre- T l T
Z " #
T l2 qwg gMw l l
g @S
Appendix A M ww ¼ ðN a Þ l
nS bwp g q þ nS g
n qw qw N b dX
X
w
RT @w
Z " # Z Z
@Sl qwg gMw K gg ¼ ð$N a ÞT qa K g $N b dX þ ð$N a ÞT Dv w $N b dX ðB:23Þ
M gw ¼ ðN a ÞT n qlw qwg nS g N b dX ðB:7Þ
X @w RT X X
Z
Z "
@Sl K Tg ¼ ð$N a ÞT Dv T $N b dX ðB:24Þ
M Tw ¼ ðN a ÞT n qlw qwg ð1 nÞ Sl qlw þ S g qwg bsT X
X @T
K uT ¼ 0:0 ðB:25Þ
qwg gM w w
nSl bwT qlw þ nS g 2 4974 þ N b dX ðB:8Þ Z
T R
K TT ¼ ð$N a ÞT kT $N b dX ca cwg ðT T o Þ þ L
ðB:11Þ X
Z
"
Z h i ð$N a ÞT Dv T $N b dX ðN a ÞT qa ca þ qwg cwg q g þ qlw clw þ qa ca H ql
@Sl @H X
M Tg ¼ ðN a ÞT nqa ½H 1
þ nqa Sl ð1 nÞqa S g þ HSl bsT Z
X @T @T g
þ ca cwg jw $N b dX ðB:28Þ
h i M qg gM w w
X
a w
n S g þ HSl 2
4974 þ N b dX ðB:12Þ Z Z
Mw T R
df u ¼ dbN b dX þ dtN b dC ðB:29Þ
Z
T X C
M uT ¼ ðN a Þ Að1 nÞ þ LS q g g
w $N b dX ðB:13Þ Z Z Z
X
fw ¼ qlw K w $N a dX þ b ww dC qwg K g $N a
ðN a ÞT q
Z " X C X
@Sl h l i M
a qwg gMw Z Z
M wT ¼ ðN a ÞT n C Lqwg n HS ca þ S g ca ðT T o Þ qg
X @w Mw RT l dX þ ðN a Þ q T
b wg dC þ ðN a Þ q T
b v w dC
h i q C C
þ nSl clw ðT T o Þ bwp g qlw
2
Zw Z
b v g dC þ ðN a ÞT q
ðN a ÞT q b v T dC ðB:30Þ
qwg gM w @H
þnS g cwg ðT T o Þ þ L þ nSl qa ca ðT T o Þ N b dX ðB:14Þ C C
RT @hw
Z Z
" qg b gg dC
Z
@S h l l i fg ¼ qa K g $N a dX þ ðN a ÞT q
M gT ¼ ðN a ÞT n C Lqwg þ n HS ca þ S g ca ðT T o Þ X qlw C
X @w Z Z
qa HK w $N a dX þ b gw dC
ðN a ÞT q
M a qlw g M a qwg gM w qwg gM w
þ nS g cwg ðT T o Þ þ L N b dX ðB:15Þ Z X
Z C
Z
RT Mw RT RT
b v w dC þ
ðN a ÞT q b v g dC
ðN a ÞT q b v T dC
ðN a ÞT q ðB:31Þ
Z " C C C
@H
@Sl
M TT ¼ ðN a ÞT nSl qa ca ðT T o Þ þ n C Lqwg
X @T @T fT
h i M qg
a w R
A þ B þ ð1 nÞLS g qwg bsT þ D n HSl ca þ S g ca ðT T o Þ = b T dC ½ðqa ca þ qwg cwg ÞðT T o Þ þ Lqwg
ðN a ÞT q
Mw T 2 C
g
Z Z
gM w w qw gM w w qg
4974 þ þ nS g cwg ðT T o Þ þ L 4974:0 þ K g $N a b Tg dC
ðN a ÞT q
dX
R T2 R
qlw
h i X C
nSl clw ðT T o Þ bwT qlw Z Z
l l
q w c w þ q a c a H ðT T o Þ K w $N a dX ðN a Þ q
T
b Tw dC
X C
K uw ¼ 0:0 ðB:17Þ Z Z
þ ca cw ðT T o Þ þ L
g T
ðN a Þ qb v w dC ðN a ÞT q
b v g dC
Z Z
C C
K ww ¼ ð$N a ÞT qlw K w $N b dX þ ð$N a ÞT Dv w $N b dX ðB:18Þ Z
X X þ ðN a ÞT qb v T dCÞ
Z Z C
Z Z
h i
[19] Verruijt A. Computational geomechanics. Springer Science & Business Media;
D ¼ n HSl qa ca þ S g qa ca þ Sl qlw clw þ S g qwg cwg þ ð1 nÞqs cs
1995.
[20] Jacinto AC, Villar MV, Gómez-Espina R, Ledesma A. Adaptation of the van
Genuchten expression to the effects of temperature and density for compacted
bw þ 1 n
b ww ¼ qlw K w $N b h
q bentonites. Appl Clay Sci 2009;42:575–82.
[21] Jacinto A, Villar M, Ledesma A. Influence of water density on the water-
g
retention curve of expansive clays. Geotechnique 2012;62:657–67.
b þq n
b wg ¼ qwg K g $N b h
q [22] Leong EC, Rahardjo H. Review of soil-water characteristic curve equations. J
g l qw Geotech Geoenviron Eng 1997;123:1106–17.
[23] Van Genuchten MT. A closed-form equation for predicting the hydraulic
conductivity of unsaturated soils. Soil Sci Soc Am J 1980;44:892–8.
q bwn
b v w ¼ Dv w $N b h [24] Leong EC, Rahardjo H. Permeability functions for unsaturated soils. J Geotech
Geoenviron Eng 1997;123:1118–26.
[25] Börgesson L, Hernelind J. Preliminary modelling of the water saturation phase
q bgn
b v g ¼ Dv w $N b h of the buffer and backfill materials. International progress report IPR-00-11;
1999.
[26] Villar M. MX-80 bentonite, thermo-hydro-mechanical characterisation
q c
b v T ¼ Dv T $N b Tn performed at CIEMAT in the context of the prototype project. Informes
Técnicos Ciemat 2005;1053:39.
g
[27] Villar M, Sánchez M, Gens A. Behaviour of a bentonite barrier in the laboratory:
q bg þ q n
b gg ¼ qa K g $N b h experimental results up to 8years and numerical simulation. Phys Chem Earth,
l qw Parts A/B/C 2008;33:S476–85.
[28] Van Esch JM. Adaptive multiscale finite element method for subsurface flow
simulation. TU Delft: Delft University of Technology; 2010.
q bw þ 1 n
b gw ¼ qa HK w $N b h [29] Villar Galicia M. Thermo-hydro-mechanical characterisation of a bentonite
from Cabo de Gata A study applied to the use of bentonite as sealing material
in high level radioactive waste repositories. Publicación técnica. (Empresa
q c
b T ¼ kT $N b Tn Nacional de Residuos Radiactivos); 2002. p. 15–258.
[30] Bear J. Dynamics of fluids in porous media. Courier Corporation; 2013.
g
[31] Olivella S, Carrera J, Gens A, Alonso E. Porosity variations in saline media
bg þ q n
b Tg ¼ K g $N b h
q
caused by temperature gradients coupled to multiphase flow and
dissolution/precipitation. Transp Porous Media 1996;25:1–25.
l qw [32] Wang W, Kosakowski G, Kolditz O. A parallel finite element scheme for
thermo-hydro-mechanical (THM) coupled problems in porous media. Comput
q bw þ 1 n
b Tw ¼ HK w $N b h Geosci 2009;35:1631–41.
[33] Philip J, De Vries D. Moisture movement in porous materials under
temperature gradients. Eos, Trans Am Geophys Union 1957;38:
The normal vector on the domain boundaries is n whereas q b 222–32.
represents a boundary flux vector. The symbols N a and N b repre- [34] De Vries DA. The theory of heat and moisture transfer in porous media
revisited. Int J Heat Mass Transf 1987;30:1343–50.
sent the basis and the element shape functions, respectively. [35] Cleall PJ, Singh RM, Thomas HR. Vapour transfer in unsaturated compacted
bentonite. Géotechnique 2013;63:957–64.
References [36] Ewen J, Thomas H. Heating unsaturated medium sand. Geotechnique
1989;39:455–70.
[37] Ho CK, Webb SW. Gas transport in porous media. Springer; 2006.
[1] Chapman N, McCombie C. Principles and standards for the disposal of long-
[38] Yang D, Rahardjo H, Leong EC, Choa V. Coupled model for heat, moisture, air
lived radioactive wastes. Elsevier; 2003.
flow, and deformation problems in unsaturated soils. J Eng Mech
[2] Nagasaki S, Nakayama S. Radioactive waste engineering and
1998;124:1331–8.
management. Springer; 2015.
[39] Vaunat J, Jommi C, Gens A. A strategy for numerical analysis of the transition
[3] Olivella S, Gens A, Carrera J, Alonso E. Numerical formulation for a simulator
between saturated and unsaturated flow conditions 1997:297–302.
(CODE_BRIGHT) for the coupled analysis of saline media. Eng Comput
[40] Itälä A, Olin M. Chemical evolution of bentonite buffer in a final repository of
1996;13:87–112.
spent nuclear fuel during the thermal phase. Nucl Technol 2011;174:
[4] Thomas H, He Y. A coupled heat–moisture transfer theory for deformable
342–52.
unsaturated soil and its algorithmic implementation. Int J Numer Meth Eng
[41] Collin F, Li X, Radu J, Charlier R. Thermo-hydro-mechanical coupling in clay
1997;40:3421–41.
barriers. Eng Geol 2002;64:179–93.
[5] Seetharam S, Thomas H, Cleall P. Coupled thermo/hydro/chemical/mechanical
[42] Wang W, Rutqvist J, Görke U, Birkholzer JT, Kolditz O. Non-isothermal flow in
model for unsaturated soils—numerical algorithm. Int J Numer Meth Eng
low permeable porous media: a comparison of Richards’ and two-phase flow
2007;70:1480–511.
approaches. Environ Earth Sci 2011;62:1197–207.
[6] Laloui L, Klubertanz G, Vulliet L. Solid–liquid–air coupling in multiphase
[43] Fung Y. Foundations of solid mechanics. Prentice Hall; 1965.
porous media. Int J Numer Anal Meth Geomech 2003;27:183–206.
[44] Zienkiewicz OC, Taylor RL, Taylor RL. The finite element method. McGraw-hill
[7] Rutqvist J, Börgesson L, Chijimatsu M, Kobayashi A, Jing L, Nguyen T, et al.
London; 1977.
Thermohydromechanics of partially saturated geological media: governing
[45] Gens A, Jouanna P, Schrefler B. MODERN ISSUES IN NON-SATURATED SOlLS
equations and formulation of four finite element models. Int J Rock Mech Min
1995;.
Sci 2001;38:105–27.
[46] Hueckel T, Baldi G. Thermoplasticity of saturated clays: experimental
[8] Schrefler BA, Zhan X, Simoni L. A coupled model for water flow, airflow and
constitutive study. J Geotech Eng 1990;116:1778–96.
heat flow in deformable porous media. Int J Numer Meth Heat Fluid Flow
[47] François B, Laloui L. ACMEG-TS: a constitutive model for unsaturated soils
1995;5:531–47.
under non-isothermal conditions. Int J Numer Anal Meth Geomech
[9] Alonso EE, Gens A, Josa A. A constitutive model for partially saturated soils.
2008;32:1955–88.
Géotechnique 1990;40:405–30.
[48] Abed AA, Vermeer PA. Numerical simulation of unsaturated soil behaviour. Int
[10] Gens A. Constitutive laws. Springer; 1995.
J Comput Appl Technol 2009;34:2–12.
[11] CODE-BRIGHT U. A 3D program for thermo-hydro-mechanical analysis in
[49] Abed AA. Numerical modeling of expansive soil behavior PhD thesis. Stuttgart
geological media, user’s guide. UPC [S.l.]; 2002.
University; 2008.
[12] Laloui L, Nuth M, Vulliet L. Experimental and numerical investigations of the
[50] Borja RI, Lee SR. Cam-clay plasticity, part 1: implicit integration of elasto-
behaviour of a heat exchanger pile. Int J Numer Anal Meth Geomech
plastic constitutive relations. Comput Methods Appl Mech Eng
2006;30:763–81.
1990;78:49–72.
[13] Akrouch GA, Sánchez M, Briaud J. Thermo-mechanical behavior of energy piles
[51] Sołowski WT, Gallipoli D. Explicit stress integration with error control for the
in high plasticity clays. Acta Geotech 2014;9:399–412.
Barcelona basic model: Part I: Algorithms formulations. Comput Geotech
[14] Nishimura S, Gens A, Olivella S, Jardine R. THM-coupled finite element analysis
2010;37:59–67.
of frozen soil: formulation and application. Geotechnique 2009;59:159.
[52] Sołowski WT, Hofmann M, Hofstetter G, Sheng D, Sloan SW. A comparative
[15] Viggiani G. Coupled phenomena induced by freezing in a granular material.
study of stress integration methods for the Barcelona basic model. Comput
Multilevel Model Secure Syst QoP-ML 2015:467.
Geotech 2012;44:22–33.
[16] Olivella S, Carrera J, Gens A, Alonso E. Nonisothermal multiphase flow of brine
[53] Sloan SW, Abbo AJ, Sheng D. Refined explicit integration of elastoplastic
and gas through saline media. Transp Porous Media 1994;15:271–93.
models with automatic error control. Eng Comput 2001;18:121–94.
[17] Panday S, Corapcioglu MY. Reservoir transport equations by compositional
[54] Sheng D, Smith DW, Sloan S, Gens A. Finite element formulation and
approach. Transp Porous Media 1989;4:369–93.
algorithms for unsaturated soils. Part II: Verification and application. Int J
[18] Diersch H, Kolditz O. Variable-density flow and transport in porous media:
Numer Anal Meth Geomech 2003;27:767–90.
approaches and challenges. Adv Water Resour 2002;25:899–944.
A.A. Abed, W.T. Sołowski / Computers and Geotechnics 92 (2017) 132–155 155
[55] Abed AA, Laitinen M, Lämsä J, Harjupatana T, Sołowski WT, Kataja M. Hydro- [76] Vardon PJ. A three-dimensional numerical investigation of the thermo-hydro-
mechanical modelling of MX-80 bentonite: one dimensional study. E3S Web mechanical behaviour of a large-scale prototype repository. Cardiff University;
Conf 2016;9. EDP Sciences. 2009.
[56] Schofield A, Wroth P. Critical state soil mechanics; 1968. [77] Sánchez M, Gens A, Villar MV, Olivella S. Fully coupled thermo-hydro-
[57] Gens A, Sánchez M, Sheng D. On constitutive modelling of unsaturated soils. mechanical double-porosity formulation for unsaturated soils. Int J Geomech
Acta Geotech 2006;1:137. 2016;D4016015.
[58] Wheeler S, Gallipoli D, Karstunen M. Comments on use of the Barcelona Basic [78] Handbook P. DuPontTM TeflonÒ PTFE.
Model for unsaturated soils. Int J Numer Anal Meth Geomech [79] Gens A, Sánchez M, Guimaraes LDN, Alonso E, Lloret A, Olivella S, et al. A full-
2002;26:1561–71. scale in situ heating test for high-level nuclear waste disposal: observations,
[59] Sołowski W, Sloan S. Equivalent stress approach in modelling unsaturated analysis and interpretation. Géotechnique 2009;59:377.
soils. Int J Numer Anal Meth Geomech 2012;36:1667–81. [80] Olivella S, Gens A. Vapour transport in low permeability unsaturated soils with
[60] Sołowski W, Sloan S. Equivalent stress approach in creation of elastoplastic capillary effects. Transp Porous Media 2000;40:219–41.
constitutive models for unsaturated soils. Int J Geomech 2013;15:04014041. [81] Sánchez M, Arson C, Gens A, Aponte F. Analysis of unsaturated materials
[61] Sánchez M, Gens A, Olivella S. THM analysis of a large-scale heating test hydration incorporating the effect of thermo-osmotic flow. Geomech Energy
incorporating material fabric changes. Int J Numer Anal Meth Geomech Environ 2016.
2012;36:391–421. [82] Mitchell HP. An investigation into the thermo/hydro/mechanical interactions
[62] Haxaire A, Galavi V, Brinkgreve R. Definition and implementation of a fully involved in high level nuclear waste disposal; 2002.
coupled THM model for unsaturated rocks; 2013. [83] Thomas HR, Vardon PJ, Cleall PJ. Three-dimensional behaviour of a prototype
[63] Jaky J. Pressure in silos 1948;1:103–7. radioactive waste repository in fractured granitic rock. Can Geotech J
[64] Laloui L, Cekerevac C. Thermo-plasticity of clays: an isotropic yield 2013;51:246–59.
mechanism. Comput Geotech 2003;30:649–60. [84] Marcial D, Delage P, Cui YJ. Hydromechanical couplings in confined MX80
[65] Wu W, Li X, Charlier R, Collin F. A thermo-hydro-mechanical constitutive bentonite during hydration; 2008.
model and its numerical modelling for unsaturated soils. Comput Geotech [85] Toprak E, Mokni N, Olivella S, Pintado X. Thermo-hydro-mechanical modelling
2004;31:155–67. of buffer, synthesis report; 2013.
[66] Haxaire A, Vardon PJ, Galavi V, Brinkgreve RB. Implementing a fully-coupled [86] Kristensson O, Åkesson M. Mechanical modeling of MX-80–quick tools for
thermo-hydro-mechanical model: lessons learned from the application to BBM parameter analysis. Phys Chem Earth, Parts A/B/C 2008;33:S508–15.
radioactive waste storage; 2015. [87] Tang A, Cui Y, Barnel N. Compression-induced suction change in a compacted
[67] Kanno T, Kato K, Yamagata J. Moisture movement under a temperature expansive clay 2008:369–74.
gradient in highly compacted bentonite. Eng Geol 1996;41:287–300. [88] Delage P, Marcial D, Cui Y, Ruiz X. Ageing effects in a compacted bentonite: a
[68] Laitinen M. Numerrin 4.0 Manual. Numerola Oy: Jyväskylä; 2013. microstructure approach. Géotechnique 2006;56:291–304.
[69] Galavi V. Groundwater flow, fully coupled flow deformation and undrained [89] Della Vecchia G, Dieudonné A, Jommi C, Charlier R. Accounting for evolving
analyses in PLAXIS 2D and 3D; 2010. pore size distribution in water retention models for compacted clays. Int J
[70] Johnson C. Numerical solution of partial differential equations by the finite Numer Anal Meth Geomech 2015;39:702–23.
element method. Courier Corporation; 2012. [90] Romero E, Della Vecchia G, Jommi C. An insight into the water retention
[71] Srivastava R, Yeh TJ. Analytical solutions for one-dimensional, transient properties of compacted clayey soils. Géotechnique 2011;61:313–28.
infiltration toward the water table in homogeneous and layered soils. Water [91] Lloret-Cabot M, Wheeler SJ, Sánchez M. A unified mechanical and retention
Resour Res 1991;27:753–62. model for saturated and unsaturated soil behaviour. Acta Geotechnica; 2017.
[72] Van Wijk W, De Vries D. Periodic temperature variations. Phys Plant Environ p. 1–21.
1963:133–8. [92] Tripathy S, Sridharan A, Schanz T. Swelling pressures of compacted bentonites
[73] Villar M, Gómez-Espina R. Report on thermo-hydro-mechanical laboratory from diffuse double layer theory. Can Geotech J 2004;41:437–50.
tests performed by CIEMAT on FEBEX bentonite 2004–2008. Informes Técnicos [93] Fish J, Belytschko T. A first course in finite elements. John Wiley & Sons; 2007.
CIEMAT; 2009. p. 1178. [94] Hutton D. Fundamentals of finite element analysis. McGraw-Hill; 2004.
[74] Villar M, Lloret A. Influence of temperature on the hydro-mechanical [95] Smith IM, Griffiths DV, Margetts L. Programming the finite element
behaviour of a compacted bentonite. Appl Clay Sci 2004;26:337–50. method. John Wiley & Sons; 2013.
[75] Gens A, Zandarin MT. Report: Capabilities and requirements of numerical
models 1/69; 2009.