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Article history: The contributions of Stephen Whitaker to the rigorous analysis of porous medium flow and transport are
Available online 28 June 2013 built on the use of temporal and spatial averaging theorems applied to phases in representative elemen-
tary volumes. Here, these theorems are revisited, common point theorems are considered, extensions of
Keywords: existing theorems are developed to include the effects of lower dimensional entities represented as sin-
Averaging theory gularities, and a unified form of the theorems for phases, interfaces, common curves, and common points
Averaging theorems is established for both macroscale and mixed macroscale–megascale systems. The availability of the full
Porous media
set of theorems facilitates detailed analysis of a variety of porous medium systems. Explicit modeling of
the physical processes associated with interfaces, common curves, and common points, as well as the
kinematics of these entities, can be undertaken at both the macroscale and megascale based on these
theorems.
Ó 2013 Elsevier Ltd. All rights reserved.
0309-1708/$ - see front matter Ó 2013 Elsevier Ltd. All rights reserved.
http://dx.doi.org/10.1016/j.advwatres.2013.06.006
228 W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237
Nomenclature
W weighting function used in averaging
Roman letters w wetting phase entity index
A general indicator of averaging theorem type wn index of interface between w and n phases
C indicator of an averaging theorem involving the curl wns index of a common curve where wn, ws, and ns
D indicator of an averaging theorem involving the interfaces meet
divergence ws index of interface between w and s phases
E the set of entities
EC the set of common curve entities Greek letters
EI the set of interface entities
EP the set of phase entities a member of I referring to phase, interface, common
EPt the set of common point entities curve, or common point a
f arbitrary continuous vector function b member of I referring to phase, interface, common
f arbitrary continuous function curve, or common point b
G indicator of an averaging theorem involving the C boundary of domain X
gradient Ca boundary of domain Xa
I unit tensor C ae portion of Ca that formed by the intersection of Xa with
ðnÞ C, i.e., an external boundary
Ia unit tensor less the components associate with the
direction(s) orthogonal to entity a where (n) is the C ai portion of Ca that is within X, i.e., and internal bound-
number of primes ary
I index set of entities c member of I referring to phase, interface, common
IC index set of common curve entities curve, or common point c
Ica index set of all entities connected to an entity that occu- d member of I referring to phase, interface, common
pies Xa curve, or common point d
I ca index set of entities connected to Xa that are member of I referring to phase, interface, common
of a dimension less than that of Xa curve, or common point
Iþ ca index set of entities connected to Xa that are j member of I referring to phase, interface, common
of a dimension greater than that of Xa curve, or common point b
II index set of interface entities K unit vector tangent to the megascale direction for two-
IP index set of phase entities dimensional macroscale and one-dimensional mega-
IPt index set of common point entities scale averaging
i integer index q mass density
j integer index X spatial domain of the averaging volume
k integer index Xa domain occupied by entity a within the averaging vol-
L unit vector in the direction of the macroscale ume
spatial coordinate when megascale averaging has Xa closed domain consisting of a domain and its boundary
been applied to the other two dimensions such that Xa ¼ Xa [ Ca
la unit vector tangent to common curve a
m integer index Subscripts (for microscale) and superscripts (for macroscale)
N unit vector orthogonal to the boundary of the RAV
n non-wetting phase entity index e external
na outward normal vector on the boundary of entity a ori- i internal
ented to be positive outward. M megascale
ns index of interface between n and s phases m macroscale
Pa microscale property of entity a n non-wetting-phase qualifier
r microscale spatial coordinate (n) number of primes where the microscale dimensionality
r integration variable of the system is 3 n
R real space [n] number of back primes where the macroscale dimen-
R0 zero-dimensional real space sionality of the system is 3 n
R1 one-dimensional real space ns qualifier for interface formed by the intersection of the n
R2 two-dimensional real space and s phases
R3 three-dimensional real space s solid-phase qualifier
s solid phase entity index w wetting-phase qualifier
T indicator of an averaging theorem involving wn qualifier for interface formed by the intersection of w
a time derivative and n phases
t time wns qualifier for common curve formed where wn, ws, and ns
v velocity interfaces meet
W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237 229
8
ws qualifier for interface formed by the intersection of w $ macroscale divergence operator when one dimension
and s phases has been averaged to the megascale
$00 microscale gradient operator along a curve
Symbols $008 microscale divergence operator for a curve
$8 macroscale gradient operator when two dimensions
above a superscript refers to a density weighted macro- have been averaged to the megascale
8
scale average $ 8 macroscale divergence operator when two dimensions
⁄
excess contribution associated with a singularity have been averaged to the megascale
0 time derivative with all spatial coordinates fixed
vector tangent to a microscale surface @/@t
R R @ 0 /@t partial time derivative fixed to point on a surface of a
hfa iXb ;Xc ;W ¼ Xb Wfa dr Xc W dr , general average of a function dependent on microscale spatial coordinates
property associated with entity a and time
@ 8 /@t partial time derivative fixed to point in two-dimen-
R R
hfa iXa ;Xa ¼ f a ¼ Xa fa dr Xa dr , macroscale volume aver- sional macroscale space
@ 00 /@t partial time derivative fixed to a point on a curve of a
age of a a phase (interface) property over the phase function dependent on microscale spatial coordinates
(interface) and time
R R @ 88 /@t partial time derivative fixed to point in one-dimensional
hfa iXa ;Xa ;qa ¼ f a ¼ Xa qa fa dr Xa qa dr , density weighted
macroscale space
macroscale average of a property of an entity over that
entity Abbreviations
Da/Dt microscale material derivative
Da =Dt macroscale material derivative RAV representative averaging volume for averaging from the
$ spatial gradient operator microscale to a representation that is a mix of macro-
$ spatial divergence operator scale and megascale dimensions
$0 microscale surficial gradient operator on a microscale REV representative elementary volume for averaging from
interface the microscale to the macroscale such that average val-
$08 microscale surface divergence vector ues are stable and independent of the averaging scale
$ macroscale gradient operator when one dimension has TCAT thermodynamically constrained averaging theory
been averaged to the megascale
equations essentially describe transport processes between points megascopically averaged over the aquifer thickness. The full set
associated with the centroid of an REV. The details of the small- of useful theorems is quite large, but these theorems have the com-
scale distribution of phases at the microscale, where phases are mon attribute that they convert averages of derivatives of quanti-
juxtaposed with a well-defined interface between them, are lost ties to derivatives of average quantities plus some additional terms
at the macroscale, where each phase occupies a fraction of the vol- that account for exchanges at the boundaries of entities and defor-
ume and the amount of interfacial area per volume is described. mation of the shapes of the entities. Application of the theorems to
Transport in and out of each ‘‘point’’ will depend on the distribu- microscale conservation and thermodynamic equations provides
tion of the volumes or interfaces within the volume, but only the differential equations in terms of larger length scales and larger
effective behavior can be modeled. Whether the inflow to the vol- scale properties. These properties are averages over regions in
ume and outflow from the volume occurs in a phase or on an inter- some subset of space that is common to all the entities. We note
face is immaterial. What distinguishes the behavior of phase and further that whereas REV’s were developed to be minimal size vol-
interface properties is the adjacent entities (phases, interfaces, umes that produced consistent average values of properties such
common curves, and common points) with which these entities that full three-dimensional variability could be modeled, the use
interact. of an averaging region that spans a full system dimension is not
Subsequently, additional averaging equations were presented an REV. Thus, we will refer to the averaging regions used by the
for common curves, the locations where interfaces come together more general term representative averaging volume (RAV) to con-
in three-phase systems [14], and some convenient theorems that note a domain used for upscaling.
involve material derivatives were derived from the macroscopic The overall goals of the present work are both to extend existing
averaging theorems [20]. The set of possible averaging theorems averaging theorems and to unify the formulation of averaging the-
has been expanded further by the development of equations that orems. The averaging theorems will be extended to account for
can be employed for systematic upscaling to the megascale and contributions due to lower dimensional entities acting on the
to megascale and macroscale mixes [14]. The megascale refers to boundary of an entity through idealization as a singularity. For
the overall length scale of the entire domain. An average value of example, on the surface of a solid, a common curve is an idealiza-
a variable over the megascale is employed, but megascale averag- tion of a portion of the surface to a region with zero width. The
ing precludes examination of the spatial dependence of the vari- force that can be applied at this ‘‘narrow’’ surface can be important
able in the megascale direction. The megascale–macroscale because this is a region where interfaces are acting on the solid.
theorems are useful, for example, in modeling a porous medium Thus, the idealization of the width of the surface to a common
system using reduced dimensionality, such as the macroscale var- curve results in the possibility of the need to model processes
iation along the axis of a column with megascale averaging over occurring on that surface as a singularity acting on the curve. This
the column cross-section, or in an aquifer accounting for macro- idea can be understood analogously to modeling the force exerted
scale variability in the lateral dimensions of variables that are by a wire tightened around a solid as a line source acting on the so-
230 W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237
lid. Similar reasoning indicates that point sources, located where E ¼ EP [ EI [ EC [ EPt , and the corresponding index set of entities
different common curves meet, may act on surfaces. In addition is I ¼ IP [ II [ IC [ IPt . Thus domain X contains entities from
to accounting for these effects in averaging theorems, we will unify E. If a 2 I, then the domain of entity a is denoted Xa. The bound-
the notation employed to express the theorems, currently collected ary of Xa is indicated as Ca. A closed domain, Xa , consists of a do-
as independent and different equations [14]. The unification of the main and its boundary such that Xa ¼ Xa [ Ca , where the entity
notation provides an opportunity for insightful study of the terms qualifier is a 2 I; Xa is the domain of entity a and Ca is the
that make up the theorems. Included in this study are averaging boundary of this domain a. The boundary of a particular entity
theorems for common points, which do not seem to have appeared can be either an external boundary located on the boundary of
previously. the averaging region C or it may be an internal boundary resulting
from the distribution of entities within X. Thus the boundary of the
domain of an entity can be represented as Ca = Cai [ Cae, where i
2. Preliminary considerations
denotes an internal boundary and e denotes an external boundary.
Interfaces are formed where two phases meet such that the a inter-
Some preliminary concepts underlie this work. These concepts
face has domain Xa ¼ Xb \ Xc R2 where a 2 II and b; c 2 IP . In
include representation of domains and boundaries, coordinate sys-
a general mathematical sense, the intersection of two domains in
tems as a function of scale, and operators needed to transform
R3 can be third region that is a subset of R3 . However, because
quantities among the length scales of consideration. These three
the physical definition of phases precludes the situation where
general areas of consideration are addressed in turn in the subsec-
they would overlap, the resulting intersection is in R2 . A similar
tions that follow.
reduction in dimensionality generalizes for the other lower dimen-
sional entities. Common curves are formed at the juxtaposition of
2.1. Domains and boundaries three interfaces such that Xa ¼ Xb \ Xc \ Xd R1 , where a 2 IC
and b; c; d 2 II . Similarly, common points are formed at the loca-
The goal of unifying averaging theorems to a small set of gen- tions where four common curves meet such that
eral and compact forms can be facilitated by the use of set theory Xa ¼ Xb \ Xc \ Xd \ X R0 , where a 2 IPt and b; c; d; 2 IC .
notation to represent collections of entities (i.e., phases, interfaces, An entity b occupying Xb is said to be connected to an entity a
common curves, and common points) present in a domain and in Xa if Xa \ Xb – ;. The index set of all entities connected to an
their boundaries. A system composed of three phase entities, three entity that occupies domain Xa is defined as Ica . For a multiphase
interface entities, and a common curve entity is depicted in Fig. 1, system, phases can be connected to interfaces, interfaces can be
and the figure caption explains some of the general notation dis- connected to both phases and common curves, common curves
cussed subsequently particularized to that system. We will con- can be connected to interfaces and common points, and common
sider a domain X that consists of a set of phases EP , interfaces EI , points can be connected to common curves. To distinguish be-
common curves EC , and common points EPt with corresponding in- tween connected entities of higher and lower dimension, such as
dex sets IP ; II ; IC , and IPt . Thus the set of entities is may occur for interfaces or common curves, we use the notation
Ica ¼ Iþ þ
ca [ Ica , where Ica is the index set of entities connected
to Xa that are of a dimension greater than that of Xa and I ca is
the index set of entities connected to Xa with a dimension less
than that of Xa. Therefore, it follows that for an interface with do-
main Xa ; Ica \ IP ¼ Iþ
ca and Ica \ IC ¼ Ica . Similarly for a com-
mon curve with domain Xa ; Ica \ II ¼ Iþ
ca and Ica \ IPt ¼ Ica .
Thus it follows that the internal boundary of an entity
Cai ¼ [b2Ica Xb .
In some instances, macroscale averaging is performed in one or
two coordinate directions while megascale averaging is performed
in the remaining direction(s). Fig. 2 depicts three different averag-
ing region types that might be employed. When considering sys-
tems that involve a mix of macroscale and megascale
coordinates, it is necessary to distinguish between the portions
of the exterior boundary that are associated with the macroscale
and those portions that are associated with the megascale dimen-
sionality. For example, consider averaging to be done using a RAV
that is a vertical cylinder with a macroscale radius and a megascale
length such that the vertical coordinate is completely spanned, as
in Fig. 2b. This cylinder will be moved throughout the domain so
Fig. 1. Two-fluid-phase porous medium depicted at the microscale. The indices that average properties and equations can be obtained for all the
fw; n; sg 2 IP designate the three phases which occupy the domains Xw, Xn, and Xs,
respectively. The interfaces between pairs of phases are denoted as
horizontal coordinates. The top and bottom of the cylinder that
fwn; ws; nsg 2 II and occupy the domains Xwn, Xws, and Xns, respectively. Examples intersect the study region are said to be associated with the mega-
of the unit normal vectors on the interfaces (nw, nn, and ns) that are oriented to be scale, since these boundaries are at the ends of the megascale
positive outward from the phases with the corresponding subscript are depicted. dimension on C. The portion of the boundary orthogonal to the
Also, unit vectors that are positive outward from and tangent to the interfaces at the
two macroscale horizontal dimensions on C, the circular boundary
common curve are depicted (nwn, nws, and nns). The common curve domain is not
explicitly indicated, although it occupies the domain Xwns where the three interface of the cylinder, is said to be associated with the macroscale dimen-
types meet with fwnsg 2 IC . No common points exist for the three-phase system. sions. This distinction is needed because of boundary terms that
Note that if the indicated sphere were used as an averaging volume, the total arise in the averaging theorems when quantities in the domain
boundary of, for example, phase s, Cs, would be composed of ws and ns interfaces are averaged over a megascale dimension. Define the boundary
(as well as the common curve where the interfaces meet) and the portion of the
boundary of the sphere that intersects the s phase. The former comprises Csi while
of the RAV as C = Cm [ CM, where Cm is the portion of the bound-
the latter is Cse. Note, for example, that for interface wn; Icwn ¼ fw; n; wnsg with ary associated with a macroscale dimension and CM is the portion
Iþ
cwn ¼ fw; ng and Icwn ¼ fwnsg. of the boundary that is associated with a megascale dimension. The
W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237 231
phase system has only one type of common curve. This description
of the internal geometry of the system is adequate to identify the
microscale coordinates of interest.
A key concept is the set of microscale unit normal vectors
whose orientations change with location in a curvilinear coordi-
nate system. The unit vector outward normal from the boundary
of a phase a 2 IP is denoted na. In porous medium systems, the
boundary of a phase is curved. For example, a solid particle has a
curved boundary, and the interface between two fluids exhibiting
interfacial tension is a curved boundary shared by each of the fluid
phases. Therefore, the typical case is that na changes in direction as
a function of location on the boundary of the a phase.
An interface a with a 2 II is a curvilinear two-dimensional en-
tity. For example, this interface could be the boundary of a solid
particle or the meniscus between two fluids in a capillary tube.
Consider the capillary tube example where the interface meets
the solid-phase tube. The unit normal vector tangent to the a inter-
face at the common curve boundary and oriented positive outward
from the interface is denoted na. Note that it is important to under-
stand the entity type specified by the subscript index in order to
understand precisely the meaning of the normal vector specified.
Fig. 2. Averaging regions. (a) REV for change of scale based on theorems Two additional microscale unit vectors are also of concern for
A[i, (3, 0), 0]; (b) RAV for change of scale based on theorems A[i, (2, 0), 1] with K describing entity geometry. The unit vector oriented tangent to a
tangent to the cylinder axis and N normal to the surface where the cylinder common curve a 2 IC that forms at least part of the boundary of
intersects the boundary, CM; (c) RAV for change of scale based on theorems
a j interface such that a 2 I cj is denoted la. The unit vector ori-
A[i, (1, 0), 2] with L normal to the slab of integration and tangent to the macroscale
direction and N normal to the surface where the slab intersects the boundary, CM. ented outward from the end of an open common curve a 2 IC is
denoted na. Thus all microscale unit vectors n correspond to vec-
tors that are oriented outward from a boundary of an entity, which
external boundary for an a entity in the megascale dimension is can be a phase, interface, or common curve. These unit vectors are
thus defined as CaM = Cae \ CM. useful for describing fluxes at entity boundaries.
Certain notions regarding coordinate systems for various enti- The restriction of differential operators is a second concept that
ties and for mixed-scale systems are important and will be consid- is needed to understand microscale transport phenomena in a cur-
ered next. vilinear coordinate system. For an a phase, which occupies a vol-
ume, the gradient and divergence operators, $ and $
2.2. Coordinate systems and differential operators respectively, can be applied to properties of the phase. The partial
time derivative is defined in terms of the material derivative and
Three length scales are of concern in this work: the microscale, the gradient operator as
the macroscale, and the megascale. At the microscale the detailed
@ Da
geometries of phases, interfaces, common curves, and common ¼ v a $; ð1Þ
@t Dt
points are all considered to be identifiable. For a multiphase porous
medium system consisting of multiple fluid phases and a solid where Da/Dt is the time rate of change observed when moving at
phase, a microscale representation implies that a given domain the microscale velocity of the phase, va, which can vary with space
can be precisely divided into subdomains occupied by each of and time. $ is a general three-dimensional spatial gradient opera-
the phases. Also at the microscale, the distribution of the phases, tor, where a general curvilinear coordinate system is assumed at
the boundaries where two phases meet, the curves where three the microscale [14].
interfaces meet, and the points where four common curves meet Next, consider interface a 2 II as defined above. This interface
are all identifiable. Because of the natural shapes of these entities exists within a three-dimensional system, however the domain
in porous medium systems, it is useful to consider a curvilinear of the a entity itself is two-dimensional. Therefore when assessing
coordinate system at the microscale. The details of such a coordi- the spatial change of a quantity on the interface, only the two coor-
nate system have been documented in the literature [14]. For clar- dinates lying on the interface are needed. As a consequence the $
ity, it is useful to review the essential details of a curvilinear operator restricted to the a interface is denoted
microscale coordinate system needed to understand the theorems $0 ¼ $ nj nj $ ¼ ðI nj nj Þ $ for r 2 Xa ; a 2 II ; j
of concern in this work.
Consider a microscale interface, a, with a 2 II in a general cur- 2 Iþca ; ð2Þ
vilinear coordinate system. Let’s denote the domain of the interface where I is the unit tensor. The index j can be the index of either
as Xa and note that this interface forms where two phases, b, meet phase that meets to form interface a.
where b 2 Iþ ca . On the interior of a domain consisting of multiple Similarly, the partial time derivative of a quantity on an inter-
phases, the boundary of Xa, Cai, is a common curve j, where face only has meaning if the point in question remains on the inter-
j 2 Ica , with domain Xj. This boundary is formed where inter- face. Since an interface may be moving in three-dimensional space,
faces that separate three different phases come together to form the partial time derivative on an interface must account for move-
a common curve. It may also be convenient to visualize a common ment of the interface in the direction normal to the interface, lead-
curve as a locus where three immiscible phases meet. The bound- ing to the definition of the partial time derivative restricted to an
ary of an interface can be comprised of common curves of different interface a given by
constitution, corresponding to the two phases meeting different
third phases at various locations on Cai. Such a situation requires @ 0 Da
¼ v a $0 for r 2 Xa ; a 2 II : ð3Þ
that the system be composed of four or more phases, as a three- @t Dt
232 W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237
By subtracting the term accounting for movement within the inter- lows the mass at the averaged velocity. This form restricts the
face from the material derivative, we restrict the partial derivative partial time derivative to being fixed at a point on the region that
such that it is a measure of a rate of change at a point on the inter- has two spatial variables since integration was performed over
face that may move in space. the third dimension.
A similar need for restricted differential operators applies for Mixed-scale systems consisting of one macroscale dimension
the case of common curves. Because a common curve is a one- and two megascale dimensions are also of interest. For this case,
dimensional entity, the spatial operator acting on a property of averaging over the entire domain is accomplished in two spatial
the common curve involves a spatial derivative along the curve. dimensions, which are everywhere orthogonal to the one macro-
Thus, rather than making use of the three-dimensional $ operator, scale dimension. The macroscale dimension may be curvilinear,
a spatial operator must be employed that considers change with subject to a small curvature assumption, and the cross-sectional
respect to the one curvilinear dimension oriented along the com- area of the megascale dimensions may vary in shape and magni-
mon curve. The restricted $ operator on the a common curve is tude with respect to the macroscale coordinate. The unit vector
thus defined as in the macroscale dimension is denoted L, and the unit normal vec-
tor directed outward from the domain is denoted N. Because the
$00 ¼ la la $ for r 2 Xa ; a 2 IC ; ð4Þ megascale dimensions are integrated over and not resolved, the
where la is a unit vector tangent to the common curve. The partial $ operator must be restricted to the macroscale dimension alone
time derivative restricted to the common curve is taken while hold- giving
ing the coordinate along the curve constant but allowing movement 8
$ 8 ¼ LL $: ð8Þ
in directions orthogonal to the common curve with the curve so
that the point of interest remains on the curve. This derivative is Analogously with the case of a single megascale dimension, the
stated as temporal derivative restricted to a macroscale position in the do-
main that may be moving in the megascale dimensions is defined as
@ 00 Da
¼ v a $00 for r 2 Xa ; a 2 IC ; ð5Þ
@t Dt @ 8 Da
8
8
¼ va $ 8 : ð9Þ
where va is the velocity of material along the common curve. @t Dt
Some additional considerations are necessary to understand 8
The dot product of v a with $ 8 means that only the macroscale
mixed-scale systems consisting of a combination of macroscale velocity component along the common curve is employed and the
and megascale dimensions. Megascale averaging is over the full ex- gradient is along the macroscale dimension. Thus, this representa-
tent of a system. Spatial megascale averaging may be performed tion considers a point fixed in the macroscale dimension of a do-
over the full space a system occupies or over only one or two of main that may itself move through space.
the spatial dimensions. In a direction of megascale averaging, spatial Systems in which all spatial dimensions are megascale do not
variability is not resolved and spatial derivatives of properties in the require restricted spatial operators, since variability within the do-
megascale dimensions are unresolved quantities. Megascale aver- main is not resolved. For consistency, however, the time derivative
aging can also be employed over the time domain, which leads to will be denoted as @ 88 8 /@t with the three backprimes used to
descriptions of the system only at the beginning and end of the emphasize that this is a time derivative taken with variability in
interval. Megascale temporal averaging will not be considered here. all three spatial dimensions unaccounted for.
When a microscale quantity is upscaled to two macroscale dimen-
sions and one linear megascale dimension, the averaging region is
2.3. Averaging operator
taken to be a column with uniform cross-section, such as a cylinder,
with the longitudinal axis aligned with the megascale dimension
An averaging operator can be introduced to condense and gen-
and the unit vector in this dimension denoted K. Macroscale averag-
eralize the representation of mathematical operations needed to
ing is performed over the dimensions orthogonal to the cylinder
transform integrals of differential operators to differentials of inte-
axis. If one were interested in megascale averaging over one dimen-
gral quantities. Such operations are needed to upscale quantities
sion while retaining a microscopic description in the other direc-
appearing in conservation and balance equations from the micro-
tions, the averaging domain would be a cylinder with a radius of
scale to a larger scale. These averages are computed by the ratio
zero, a straight line. Because quantities are averaged over the entire
of integral quantities, which can be expressed using averaging
domain in the megascale dimension, the $ operator that survives in
operator notation defined by
resultant equations is restricted to account for spatial variability
only in the two macroscale dimensions giving rise to the macroscale
8 R WP dr
>
> Rj
X
a
for dim Xj > 0; dim Xb > 0;
spatial operator in those dimensions defined as >
>
>
>
W dr
>
> X
Xb
8 >
>
$ ¼ $ KK $ ¼ ðI KKÞ $: ð6Þ >
> Pari W
>
>
< ri 2RXj
Note that when this operator is applied to a variable that has been for dim Xj ¼ 0; dim Xb > 0;
hPa iXj ;Xb ;W ¼ W dr ð10Þ
averaged to the macro–megascale form, the difference between $ >X
>
Xb
>
>
8
and $ is unimportant because KK $ operating on this variable will >
> Pari W
>
>
>
> ri 2Xj
be zero. Nevertheless, it is convenient to retain the notational differ- > X
> for dim Xj ¼ 0; dim Xb ¼ 0;
>
> W
ence for emphasis. :
ri 2Xb
Similarly, the temporal derivative restricted to a position on the
potentially moving and curvilinear megascale dimension is de- where Pa is a microscale property of entity a to be averaged, and W
noted as is a weighting function that is equal to unity if not specified. When
Xb = X the averaged quantity is normalized by an integral over the
Da
8
@ 8
¼ va $ ; ð7Þ entire REV. When dim Xj = 0 the domain consists of a set of com-
@t Dt
mon points located at ri. For this case the averaging operator corre-
where v a is the velocity vector that has been averaged to the mac- sponds to a summation over the set of points located at ri that
roscale. The material derivative in this expression is one that fol- comprise Xj. Cases will arise in which the point form is used to
W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237 233
Z Z X Z
denote a boundary of a common curve. Because a quantity must be
$ f a dr ¼ $ f a dr þ na f a for a 2 IP : ð12Þ
defined in the space over which it is averaged, Pa is typically inte- Xa Xa j2Ica Xk
grated over Xa or the domains that form parts of the boundary of
entity a. Normalization of all terms in Eq. (12) by the volume of the RAV X,
allows Eq. (12) to be written in averaging operator form as
X
3. Averaging theorem notation h$ f a iXa ;X ¼ $ hf a iXa ;X þ hna f a iXj ;X for a 2 IP : ð13Þ
j2Ica
Upscaling of conservation and balance equations from the
The form of this common theorem (e.g., as in [24] and subse-
microscale to some combination of macroscale and megascale rep- quent uses of the spatial divergence averaging theorem) relates
resentations for curl, divergence, gradient, and temporal derivative
the average of a divergence to the divergence of an average plus
operators leads to a large set of potential averaging theorems. Gray a term accounting for boundary effects.
et al. [14] introduced a notation to identify members of this set of
Next consider the divergence on an interface at the microscale.
theorems and detailed a generalized function approach for deriv- According to the naming convention the theorem of interest is
ing these theorems. Others have investigated various approaches
D[2, (3, 0), 0], which is written as
for deriving small subsets of these theorems, resulting in common Z Z Z
forms for identical members of the set. Because a comprehensive $0 f a dr ¼ $ 0
f a dr þ ð$0 nb Þnb f a dr
notation exists, we briefly summarize this notation for complete- Xa Xa Xa
ness of exposition. The general notation is A[i, (j, k), m]. A is a Ro- X Z
man symbol that denotes the type of theorem, where C þ na f a dr for a
j2Ica Xj
represents a curl, D a divergence, G a gradient, and T a transport
theorem. The symbols i, j, k, and m are integers that are divided 2 JI ; b 2 Iþca : ð14Þ
into three groups that correspond to the scales of concern in order
Normalizing all terms by the volume of the REV allows this equa-
of microscale, macroscale, and megascale.
tion to be rewritten in operator notation
The index i represents the number of microscale dimensions. X
0
When i = 3 the microscale representation is for a spatial differential h$0 f a iXa ;X ¼ $ hf a iXa ;X þ hð$0 nb Þnb f a iXa ;X þ hna
operator or a partial time derivative in three-dimensional space. j2Ica
When i = 2 the theorem involves a differential operator restricted f a i Xj ;X for a
to an interface. When i = 1, the theorem involves a differential
operator restricted to a common curve entity. When i = 0, the 2 JI ; b 2 Iþca ; ð15Þ
microscale differential is for a common point. Common point the- 0
where f a ¼ ðI nb nb Þ f a is a vector consisting of the components of
orems were not included in the work of Gray et al. [14]. fa that are tangent to the interface, and $0 ¼ ðI nb nb Þ $.
The indices (j, k) represent the macroscale dimensionality of the Comparing Eqs. (13) and (15) reveals some differences. The
theorem. Since a macroscale representation can be either a differ- divergence of the microscale vector for the interface is restricted
ential of a macroscale quantity or an integral quantity on the to lie on the interface. This is because at the microscale the domain
boundary of the domain, two indices are needed. The convention is two-dimensional in nature, thus the divergence is two dimen-
is that j + k represents the number of macroscale dimensions and sional as well. In Eq. (15), the macroscale divergence operator acts
the product jk = 0, which implies that either a differential (when on a macroscale vector that is the average of only the microscale
k = 0) or a boundary representation (when j = 0) is used. components of the vector that are tangent to the surface. The
The index m represents the number of megascale dimensions. boundary term applies to the set of common curves that form
Dimensions that are treated at the megascale are integrated over the boundary of the interface, and only the connected entities from
the entire length of the domain in that dimension and spatial var- the set of lower dimensional entities comprise this boundary. The
iability in that megascale dimension is not resolved. Fluxes enter second term on the right side of Eq. (15) does not seem to corre-
and leave a megascale dimension over a boundary of the domain. spond directly to any term in Eq. (13). This terms accounts for con-
Mixed dimensionality systems have some dimensions resolved at tributions to the divergence due to the curvature of the interface
the macroscale and other dimensions resolved at the megascale. when the vector has a normal component.
For such cases, a macroscale point implies an average over the Many other differential operator-scale combinations exist.
megascale dimension(s). These theorems can be extended to account for common points,
additional contributions that are typically neglected can be in-
3.1. Examples of traditional forms cluded, and families of theorems can be put into a common con-
densed form that encompasses each member of the set of
To fix ideas on this naming convention, consider the common theorems. These three topics are discussed in turn in the sections
case of D[3, (3, 0), 0], which is a macroscale divergence theorem that follow, first considering common points.
that is traditionally represented in integral form as
Z Z Z
4. Common point theorem
$ f a dr ¼ $ f a dr þ na f a dr for a 2 IP : ð11Þ
Xa Xa Cai
Multiphase porous medium systems that have four or more
Although X is independent of time and space, the domain Xa and phases can contain common points. The definition of a common
the boundary Cai may both depend on time and position because point is the location at which four phases meet. A porous medium
the a phase will be distributed differently within the averaging vol- system consisting of a water phase, an immiscible liquid phase, a
ume with its centroid at different spatial locations. While only a sin- gas phase, and a solid phase is an example of a relevant environ-
gle integral is shown for simplicity of notation, the integration is mental system that admits common point entities. If continuum
performed over a number of dimensions that is consistent with models are to be formulated at the scales above the microscale
the dimensionality of Xa, where r is a general spatial variable of for systems that admit common points, the set of theorems repre-
integration. Because Cai consists of interfaces in the connected en- senting the behavior of properties of collections of common points
tity set, Eq. (11) is typically re-expressed as will be needed to produce high-fidelity closed models that account
234 W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237
for transport phenomena affected by all possible entities. The pur- parameterization of closure relations. At best this approach ob-
pose of this section is to consider the [0, (3, 0), 0] family of com- scures the connection between the microscale and the macroscale;
mon-point theorems, which can be used to advance models at worst it hinders an appropriate representation of the operative
containing four or more phases. physics.
The situation with common points differs from the other types An interface, the idealization of the location where two
of entities that form in multiphase systems in two significant re- immiscible phases meet, is the shared boundary between the
gards. First, while averaging theorems for other entities involve phases. Properties resulting from molecular interactions make a
integration over the domain, collective common point properties transition along a path from the interior of one phase across
reduce to a summation, as was formulated in Subsection 2.3. Sec- the boundary and into another phase. Specifically including inter-
ond, the R0 dimensionality of a set of common points means that face entities provides a means to account for excess mass,
spatial differential operations are not defined at the microscale. momentum, and energy that occurs as a result of this transition.
This can be viewed as a natural consequence of the dimensional For example, interfaces exhibit tension and curvature as a result
restriction of spatial operators. For example, phase properties man- of molecular forces, and these properties can be measured exper-
ifest three-dimensional spatial variability, interfaces two-dimen- imentally; surfactant molecules accumulate at interfaces between
sional spatial variability, and common curves one-dimensional phases. A similar situation exists for common curves that form
spatial variability. It follows then that a specific common point where three phases meet and for common points where four
can have properties, such as excess mass, momentum, energy, or phases meet.
entropy, but these points cannot have spatial differential proper- Explicit, high-fidelity representation of the operative physics re-
ties at the microscale. Correspondingly, a general conservation quires a proper representation of the effects of interfaces, common
principle at the microscale is void of spatial differential operators, curves, and common points. The goal of an improved representa-
and consists of accumulation, body force, and generation contribu- tion of the physics of multiphase systems can be advanced by
tions. As a consequence of the fact that spatial differential opera- including additional interactions not embodied in extant theorems.
tors are undefined at the microscale, it follows that averaging Let us consider the case conceptually first, and then mathemati-
theorems for microscale spatial differential operators are similarly cally through modifications to the form of theorems used for
undefined. Macroscale spatial operator theorems are unnecessary change-of-scale operations.
for the formulation of macroscale and megascale models of com- Consider a two-fluid-phase porous medium system comprised of
mon point dynamics. a wetting fluid phase denoted w, a non-wetting fluid phase denoted
The situation regarding the temporal derivative is different. n, and a solid phase denoted s. Including all possible entities results
Clearly, a property of a common point, or a collection of common in an explicitly listed index set, I ¼ fw; n; s; wn; ws; ns; wnsg, con-
points, can change with time as properties such as composition, sisting of indexes corresponding to the three phases, three inter-
mass, or temperature of the point vary. These properties change faces, and the common curve that can form in such a system. Now
due to exchanges that occur to and from the end points of the four consider the situation that exists on the surface of the solid
common curves that meet to form a common point. Such changes Csi ¼ [j2Ics Xj , which denotes that the internal boundary of the solid
are manifest in the accumulation term that is written for a micro- phase consists of the union of the ws and ns interfaces. Internal
scale conservation equation. If macroscale or megascale models are boundaries occur in traditional theorems and provide a means to ac-
desired for properties of common points in a system, it is necessary count for the transfer of physical quantities among entities. How-
to upscale the microscale temporal derivative term. A theorem to ever, the real physical situation is somewhat more complicated
accomplish this upscaling can be derived by extending previously than this example suggests.
developed generalized functions approaches [14] to yield transport Because in this example system the surface of a solid can be in
theorem T[0, (3, 0), 0] given by contact with one of two fluids, two different interfaces exist on the
! ! solid surface. As an example, forces can act normal to the surface of
X @ 000 fa X X
¼ @ fa jri þ$ ðv a fa Þjri for a the solid within these interfaces. Because the properties of the flu-
r 2X
@t ri @t ri 2Xa ri 2Xa ids are different, the normal forces will be different for the two dif-
i a
ferent types of interfaces. Thus if one moves along the surface of
2 IPt ; ð16Þ
the solid from one type of interface to the other type of interface
and ri are the locations of common points within X. This equation a transition in the normal force may occur in the vicinity of the
can be normalized with respect to the volume of the RAV in which boundary between the ws and ns interfaces, which is also the
the points exist. Then, with reference to the definitions of averages wns common curve. The region in the vicinity of the common curve
given in Eq. (10), the normalized theorem is may affect the surface of the solid, for example by exerting a nor-
000 mal force on the solid. As an analogous case, one can consider an
@ fa @ elastic band exerting a force on a solid it is wrapped around. This
¼ hfa iXa ;X þ $ hv a fa iXa ;X for a 2 IPt : ð17Þ
@t Xa ;X @t elastic band exerts a force on the surface that can be modeled
approximately as a singularity acting on a curve around the solid
rather than a surface force on a region with a narrow width. The
5. Extended averaging theorems normal components of physical phenomena acting on common
curves on phase boundaries are not accounted for in existing the-
Traditionally, averaging approaches have been applied to up- orems. While these effects are small in most cases, this is not uni-
scale porous medium equations from the microscale to the macro- versally the case. For example, this force is important in assuring
scale considering only volume entities. However, it is now equilibrium of forces normal to a solid surface at the location of
recognized that other entities, such as interfaces, common curves, a common curve (The balance of forces in the tangential direction
and common points, play an important role in porous medium is Young’s equation supplemented by the common curve effects).
dynamics. Consider the case of two-fluid-phase flow through a Change of scale theorems can be amended to account for these sin-
porous medium. While it is common knowledge that capillary gularities to provide a higher fidelity representation of the opera-
forces are important, these forces occur at interfaces. It follows tive dynamics.
then that if interfaces are not explicitly included in the formula- Let us examine the situation mathematically. Consider the clas-
tion, capillary effects can only be included implicitly through sical spatial averaging theorem, expressed as
W.G. Gray, C.T. Miller / Advances in Water Resources 62 (2013) 227–237 235
Z Z Z
Existing forms of the transport theorem implicitly assume that this
$ } f a dr ¼ $ } f a dr þ na } f a dr for a 2 IP ; ð18Þ
Xa Xa Cai common curve contribution to phase behavior is negligible.
7. General mixed-scaling averaging theorems where Xma is the macroscale coordinates of X, (n) denotes the num-
ber of primes, 0 , applied at the microscale, [m] denotes the number
A general representation of averaging theorems that transform of primes, 8 , applied at the macroscale, and the restricted megascale
integrals of differential operators applied to microscale quantities identity tensors are defined as
to differential operators applied to macroscale quantities was pro-
I½0 ¼ I; ð34Þ
vided in Section 6. The set of 13 theorems was reduced to a single
½1 8
spatial derivative form and a single temporal derivative form, I ¼ I ¼ I KK; ð35Þ
which illustrated the commonality of these theorems. Further gen- I½2 8 8
a ¼ I ¼ LL; and ð36Þ
eralization of the averaging theorems is possible. ½3 8 88
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