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1 Introduction
Transport phenomena deals with the question of macroscopic exchange of mo-
mentum, heat and mass. In any real system, momentum, heat and mass are
transferred continuously due to collisions between molecules. Indeed when two
molecules colloid, momentum transfers between them. Because of this, kinetic
energies (e.g., effective temperatures) of two molecules change, as well as their
location (e.g., instantaneous density). Transport phenomena does not deal with
such microscopic exchanges, even though they constitute the molecular basis
of momentum, heat and mass transfer. What we are interested in are the
exchanges that are macroscopic, i.e., can be measured and observed macroscop-
ically. A necessary condition for the occurrence of such macroscopic transport
is the existence of macroscopic heterogeneities in the system, i.e., linear momen-
tum (velocity), enthalpy (temperature) and concentration gradients. Whenever
such a gradient exists, the corresponding quantity transfers at a macroscopically
measurable rate in the direction that results in thermodynamic equilibrium. For
instance, whenever temperature is not constant within a solid, heat transfers
from regions of higher temperature to regions of lower temperature.
The current course is dedicated to analyzing such macroscopic exchanges.
Before doing so, however, it is necessary to review some mathematical concepts
that will be used in such analysis. Considering the fact that momentum, heat
and mass transfer are driven by heterogeneities in the system, such exchanges are
associated with a direction and can therefore only been properly characterized
by vectorial quantities. To be more precise, the transfer of a scalar quantity such
as temperature can be properly described using a vector, while the transfer of
a vectorial quantity, such as linear momentum can be characterized using what
is known as a tensor. Since transport phenomena are in essence driven by
heterogeneities in the system, all relevant quantities, whether they are scalars,
vectors, or tensors, are functions of position r ∈ R3 and time t. Mathematically,
such quantities are known as fields. In this lecture, we will discuss a quick
overview of the vector calculus necessary for transport phenomena.
1
2 Scalars, Vectors and Tensors
2.1 Scalars:
A scalar is a quantity that does not have a direction, and therefore has a rep-
resentation that is independent of the orientation of the coordinate system. In
transport phenomena, quantities such as density, concentration, en-
thalpy, temperature, and pressure are scalars.
2.2 Vectors:
Unlike scalars that have no direction, a vector has a direction. The most
important vectorial quantities in transport phenomena are velocity
and flux with the latter being defined later. Since a vector has a direction,
its representation depends on the coordinate system. To be more precise, a
vector is represented as a sum of its projections onto the members of a basis set,
e1 , · · · , en :
n
X
v = vi ei (1)
i=1
They are also complete since you can express any vector in R3 as their linear
combination.
Example 2. For R3 , exand ey are linearly independent, but are not complete,
3
since, for instance v = 1 cannot be expressed as a linear combination of
2
ex and ey only.
2
Example 3. The following vectors are not linearly independent as u3 = u1 +
2u2 :
1 −1 −1
u1 = 2 , u2 = 0 , u3 = 2 ,
−1 2 3
Note that:
n
X n
X
v · ei = vj ej · ei = vj δij = vi (4)
j=1 j=1
In other words, the ith component of v is its inner product of v with ei . Note
that this is not true for a general basis set and is only valid for an orthonormal
basis set.
Finally, the magnitude of a vector is given by:
v v
n u n
0 √
uX
u uX
u · u = |u||u| cos
θu,u
*
=⇒ |u| = u · u = t ui uj δij = t u2i
i,j=1 i=1
3
Cross Product Unlike inner product that is defined for vectors of arbitrary
dimensions, cross product is only defined for vectors in R3 . The cross product
of vectors v and w is a vector that is orthogonal to both v and w and whose
magnitude is given by |v||w| sin θ with θ the angle between v and w. The
components of v × w (in terms of an orthonormal basis) can be computed as:
ex ey ez
v × w := vx vy vz (5)
wx wy wz
We will formally define the notion of a tensor shortly, but you can view as a
three-dimensional array. It can be shown that a × b can be expressed as:
X
(a × b)i = ijk aj bk (7)
j,k
a × b = : (ab) (8)
4
v can be represented as:
with:
e0x = ex
e0y = cos θey + sin θez
e0z = − sin θey + cos θez
2.3 Tensors
Like vectors, tensors also have coordinate-dependent representations. Their
only distinction with vectors is the way that their representation changes upon
changing the basis set. Mathematically speaking, a tensor in Rn has nr inde-
pendent components, with r known as its rank. Scalars and vectors are therefore
rank-zero and rank-one tensors, respectively. A second-rank tensor is basically
a square matrix:
T11 T12 · · · T1n
T21 T22 · · · T2n
T = . (11)
.. .. ..
.. . . .
Tn1 Tn2 · · · Tnn
In other words, (uv)ij = ui vj . Similarly, one can define the dyadic product of
tensors S and T of ranks r and s as:
5
Obviously one can define dyads– and r-ads– of basis set vectors. For instance:
ei1 ei2 · · · eir : ej1 ej2 · · · ejr := δi1 j1 δi2 j2 · · · δir jr (15)
As you can observe, this generalized inner product reduces to vectorial inner
product for r = 1. With these preliminaries, we can now obtain the transfor-
mation rule for a tensor of rank r. Let R be a rotation matrix and let e0i = Rei .
The components of a tensor T in the new coordinate system are given by:
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Problem 1. Express the transformation rule for a second-rank tensor.
Solution. For r = 2, we have:
X X
Tij0 = (RT )ip Tpq Rqj = RT T R ij
Rpi Rqj Tpq =
p,q p,q
Now let’s simplify this generalized formalism for vectors and second-rank ten-
sors. We first start with basis vectors and dyads.:
ep · eq er := δpq er (21)
ep eq · er := δqr ep (22)
ep eq · er es := δqr ep es (23)
Now consider arbitrary second-rank tensors S and T, and an arbitrary vector
v. The inner product of S and T is a second-rank tensor and is given by:
n
X
[S · T]i1 i2 = Si1 j Tji2 (24)
j=1
which is the regular matrix product of S and T. Similarly, one can define the
inner product of a second-rank tensor and a vector:
" #
X X X
v · S := vp Sq,r ep · eq er = vp Sp,r er = vT S (25)
p,q,r r p
" #
X X X
S·v := Sp,q vr ep eq · er = vq Sp,q ep = Sv (26)
p,q,r p q
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which are, once again, the relative matrix products of the corresponding entities.
Finally, full contraction can be defined for tensors of different ranks. The
full contraction of tensors S and T with ranks s > t is a tensor with rank s − t
and is given by:
n
X
[S : T]i1 i2 ···is−t = Si1 i2 ···is−t j1 j2 ···jt Tj1 j2 ···jt
j1 ,j2 ,··· ,jt =1
Remark: Note that full contraction and regular inner product are two distinct
ways of generalizing inner products for tensors. In reality, there are more ways
of generalizing inner product for tensors that are beyond the scope of this in-
troductory course. The definitions given here, however, will be useful in the
analysis of transport problems.
3.1 Gradient
Consider a scalar function b(r, t). We can estimate the change in b along an
infinitesimal vector dr as:
(a) ∂b ∂b ∂b
db = dx + dy + dz
∂x ∂y ∂z
∂b ∂b ∂b
= ex + ey + ez · [dxex + dyey + dzez ]
∂x ∂y ∂z
= ∇b · dr
Note that db is the largest if dr is parallel to ∇b. Therefore, the gradient of
a scalar field specifies the direction along which a function undergoes
the largest change upon a given displacement.
Obviously, scalars are not the only quantities that depend on position. Vec-
tors and tensors can also be position-dependent, and therefore their gradient
can be defined in a similar fashion. The gradient of a vector function u(r, t) is
a second rank tensor:
∂u ∂uy ∂uz
x
∂x ∂x ∂x 3
∂ux ∂uy ∂uz X ∂uj
∇u = = ei ej (27)
∂y ∂y ∂y i,j=1 ∂xi
∂ux ∂uy ∂uz
∂z ∂z ∂z
8
In other words, the ith column of ∇u is the gradient of the ith component of
u, which is a scalar field. One can define a gradient operator as:
n
X ∂
∇ ≡ ei (28)
i=1
∂xi
It is easy to note that the gradients of a scalar and a vector field can be auto-
matically obtained using this operator:
" n # n
n
X ∂ X X ∂uj
∇u = ei uj ej = ei ej (29)
i=1
∂xi j=1 i,j=1
∂xi
3.1.1 Divergence
You might remember from freshman calculus that the divergence of a vectorial
function is defined as its per-volume outward flux from an infinitesimal volume
element δV :
R
n · udS
div u = lim δA (30)
δV →0 δV
where n is the unit vector normal to the surface of δV . Clearly the divergence of
a vector field is a scalar. With the generalized notion of regular inner product,
it is possible to define divergence of higher-rank tensors. The divergence of a
rank-r tensorial function τ is therefore given by:
R
n · τ dS
div τ = lim δA (31)
δV →0 δV
Now, imagine a cuboidal volume element with sizes ∆x, ∆y and ∆z and note
that:
Z
∆z ∆z
n · udS = ez · u x, y, z + − u x, y, z − ∆x∆y
δA 2 2
∆x ∆x
+ex · u x + , y, z − u x − , y, z ∆y∆z
2 2
∆y ∆y
+ey · u x, y + , z − u x, y − , z ∆x∆z
2 2
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∂uz ∆z ∂uz ∆z
= uz (x, y, z) + − uz (x, y, z) − ∆x∆y
∂z 2 ∂z 2
∂ux ∆x ∂ux ∆x
+ ux (x, y, z) + − ux (x, y, z) − ∆y∆z
∂x 2 ∂x 2
∂uy ∆y ∂uy ∆y
+ uy (x, y, z) + − uy (x, y, z) − ∆x∆z
∂y 2 ∂y 2
∂ux ∂uy ∂uz
= ∆x∆y∆z + +
∂x ∂y ∂z
h i
∂u
∆x∆y∆z ∂x + ∂yy + ∂u
∂ux z
R
δA
n · udS ∂z
lim = lim
δV →0 δV ∆x,∆y,∆z→0 ∆x∆y∆z
∂ux ∂uy ∂uz
= + +
∂x ∂y ∂z
∂ ∂ ∂
= ex + ey + ez ·u (32)
∂x ∂y ∂z
| {z }
∇
Note the appearance of the ∇ operator, which we also observed in the gradient
operator. For a tensorial field, it can be shown, using a similar fashion that
div τ = ∇ · τ . For instance, for a second-rank tensor, T, we have:
3
X ∂
∇·T = ep · Tq,r eq er
p,q,r=1
∂xp
3
X ∂Tq,r
= δpq er
p,q,r=1
∂xp
3
X ∂Tq,r
= er
q,r=1
∂xq
∂Txx ∂Tyx ∂Tzx
+ +
∂x ∂y ∂z
∂T ∂Tyy ∂Tzy
xy
= + + (33)
∂x ∂y ∂z
∂Txz ∂Tyz ∂Tzz
+ +
∂x ∂y ∂z
In other words, the ith component of ∇ · T is the divergence of the ith column
of T.
3.1.2 Curl
Curl is only defined for vector fields in R3 and quantifies the amount of infinites-
imal rotation in the vector field. Consider an infinitesimal planar closed path C
around r and let t be the unit vector parallel to the path at each point along C ,
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and δA and n be the area and the unit vector normal to the plane encompassed
by C . The projection of the curl of u on n is defined as:
R
t · udC
n · [curl u] = lim C (34)
δA →0 δA
Now consider an infinitesimal plane ∆x∆y centered around (x, y, z) with a nor-
mal vector ez . The zth component of the curl vector can be estimated as:
Z
∆y ∆x
t · udC = ex · u x, y − , z ∆x + ey · u x + , y, z ∆y
C 2 2
∆y ∆x
+(−ex ) · u x, y + , z ∆x + (−ey ) · u x − , y, z ∆y
2 2
∂ux ∆y ∂ux ∆y
= ux (x, y, z) − − ux (x, y, z) + ∆x
∂y 2 ∂y 2
∂uy ∆x ∂uy ∆x
+ uy (x, y, z) − − uy (x, y, z) + ∆y
∂x 2 ∂x 2
∂uy ∂ux
= ∆x∆y −
∂x ∂y
R
t · udC
ez · [curl u] = lim C
δA →0 δA
h i
∂u
∆x∆y ∂xy − ∂u ∂y
x
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We once again encounter the magical ∇ operator. Now let’s rearrange this
formula using the permutation tensor:
3
X ∂ur
∇×u = pqr = : ∇u (37)
p,q,r=1
∂xq
Curl is only defined for vector fields in R3 and conceptually corresponds to the
infinitesimal rotation of a vector field, and is given by:
ex ey ez
∇ × v := ∂/∂x ∂/∂y ∂/∂z (38)
vx (r, t) vy (r, t) vz (r, t)
= : (∇v) (39)
3.1.3 Laplacian
Laplacian of a field is the divergence of its gradient and can be defined for all
tensorial fields, irrespective of their rank:
Here n is the outward normal vector at point r on S(t). The complete mathe-
matical proofs of these integrals are beyond the scope of this course. But the
basic idea is to fill the corresponding control volume with infinitesimal control
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volumes, and express each surface integrals as the sum of surface integrals within
those smaller infinitesimal control volumes. In such a decomposition, the fluxes
corresponding to internal boundaries will cancel out as long as the correspond-
ing field is contnuous. One can then convert each infinitesimal surface integral
to the corresponding volume integral, based on the definition of gradient or di-
vergence. We will use these integral transformations a lot, particularly in our
derivation of differential forms of conservation equations.
There is another very important integral transformation that converts a
contour integral to a surface integral. A contour, C , is a closed one-dimensional
path in R3 . The contour integral of a vector field, v, on C is given by:
Z
t · vdc
C
And similarly:
Z Z
t × vdc = (n × ∇) × vdST (46)
C S
ei · ej = δij (48)
X
ei × ej = ijk ek (49)
k
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With this construct an infinitesimal volume element is a parallelepiped with side
vectors, a1 du1 , a2 du2 , a3 du3 . The differential volume and surface elements are
thus given by:
Here (a⊕b) = (a+b) mod 3. Now we obtain general formulae for the differential
operators introduced above:
P
Gradient: For a given scalar field, f , one can observe that df = i (∂f /∂ui )dui .
On the other hand, df = dr · ∇f . Balancing these two expressions yields:
X ∂f X X X ∂f X
dui = hi ei dui · [∇f ]i ei =⇒ dui = hi [∇f ]i dui
i
∂ui i i i
∂ui i
∂f 1 ∂f X 1 ∂f
= hi [∇f ]i =⇒ [∇f ]i = =⇒ ∇f = ei (52)
∂ui hi ∂ui i
hi ∂ui
P
Divergence: Let v = vi ei . Note that:
i
X X ei
∇·v = ∇ · [vi ei ] = ∇ · vi hi⊕1 hi⊕2
i i
hi⊕1 hi⊕2
X ei ei
= ∇ (vi hi⊕1 hi⊕2 ) · + vi hi⊕1 hi⊕2 ∇ ·
i
hi⊕1 hi⊕2 hi⊕1 hi⊕2
This follows from the fact that ∇ × ∇f = 0 for any f . We therefore have:
X ei
∇·v = ∇ (vi hi⊕1 hi⊕2 ) ·
i
hi⊕1 hi⊕2
X ej ∂ ei
= (vi hi⊕1 hi⊕2 ) ·
i,j
hj ∂uj hi⊕1 hi⊕2
1 X ∂
= (vi hi⊕1 hi⊕2 ) (54)
h1 h2 h3 i ∂ui
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Curl:
X X ei
∇×v = ∇ × (vi ei ) = ∇ × hi vi
i i
hi
0
X e
∇(hi vi ) × i + hi vi ∇ × i e>
=
i
hi hi
X X ej ∂ ei
= (hi vi ) ×
i j
hj ∂uj hi
X 1 ei⊕1 ∂
ei⊕2 ∂
= − (hi vi )
i
hi hi⊕2 ∂ui⊕2 hi⊕1 ∂ui⊕1
1 X ∂ ∂
= hi⊕1 ei⊕1 − hi⊕2 ei⊕2 (hi vi )
h1 h2 h3 i ∂ui⊕2 ∂ui⊕1
h1 e1 h2 e2 h3 e3
1
∂/∂u1 ∂/∂u2 ∂/∂u3
= (55)
h1 h2 h3
h1 v1 h2 v2 h3 v3
Laplacian:
∇2 f = ∇ · ∇f
1 X ∂ hi⊕1 hi⊕2 ∂f
= (56)
h1 h2 h3 i ∂ui hi ∂ui
With these formulae known, it just suffices to obtain hi ’s for the cylindri-
cal and spherical coordinates. Here, we enumerate, h1 , h2 , h3 for cylindrical
coordinates, and leave the task of deriving those for spherical coordinates as a
homework assignment:
u21 = r 2 = x2 + y 2
y
tan u2 = tan θ =
x
u3 = z
We need to compute ∂xi /∂uj for all i, j. It is easy to note that ∂z/∂u1 =
∂z/∂u2 = 0 and ∂z/∂u3 = 1. So we have e3 = ez , h3 = 1.
For h1 , we have:
∂x ∂y
x tan u2 = y =⇒ tan u2 =
∂u1 ∂u1
∂x ∂y
x2 + y 2 = u21 =⇒ 2x + 2y = 2u1 =⇒
∂u1 ∂u1
∂x
[2u1 cos u2 + 2u1 sin u2 tan u2 ] = 2u1 =⇒
∂u1
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∂x 1 cos u2
= 2 = = cos u2
∂u1 cos u2 + sin u2 / cos u2 cos u2 + sin2 u2
2
∂x ∂y
= cos u2 , = sin u2 (57)
∂u1 ∂u1
Similarly:
∂x ∂y ∂y x ∂x ∂x
x2 + y 2 = u21 =⇒ 2x + 2y = 0 =⇒ =− = − cot u2
∂u2 ∂u2 ∂u2 y ∂u2 ∂u2
∂x x ∂y ∂x x
x tan u2 = y =⇒ tan u2 + = =⇒ =− 2
∂u2 cos2 u2 ∂u2 ∂u2 cos u2 (tan u2 + cot u2
∂x u cos u2
=⇒ =− 1 = −u1 sin u2
∂u2 2
cos u2 cossin u2
+ cos u2
u2 sin u2
∂x ∂y
= −u1 sin u2 , = u1 cos u2 (58)
∂u2 ∂u2
We therefore have:
a1 = cos u2 ex + sin u2 ey =⇒ h1 = 1
a2 = −u1 sin u2 ex + u1 cos u2 ey =⇒ h2 = r
a3 = ez =⇒ h3 = 1
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