Introduction to Transport Phenomena –

Mass Transport

CE 389/ENVE 310 – Environmental Transport Phenomena

Spring 2005
 Course objectives

• CE389/ENVE 310 provides theoretical and practical basis for

understanding and quantifying mass, momentum and energy
transport motivated by examples and applications relevant to
environmental engineering problems.
• We will explore both molecular and macroscopic principles
highlighting unifying principles underlying transport processes
and properties.
• Students are expected to develop proficiency in formulation of
transport problems, making simplifying assumptions, and using an
array of analytical and numerical solution methods.
• Synthesisand addressing coupled transport processes will be
explored primarily through student self-study via class project.
 General Information and Grading
• Instructor: Dr. Dani Or – (CAST 313, 6-2768) [email protected]
TA: Mr. Tao Long (CAST 101, 6-0467) [email protected]
Alt. Inst.: Dr. Ross Bagtzoglou –(CAST 327, 6-4017) [email protected]

• Time: T;Th 3:00-4:30 pm

• Location: CAST 206
• Office Hrs: T+Th 2:00-3:00 pm

• Text: Transport Phenomena (Bird, Stewart and Lightfoot)

2nd ed.; Additional materials posted on course webpage;
Supplemental textbook: Welty et al 2001 4th ed.
• Webpage:www.engr.uconn.edu/environ/envphys/courses/transport/

• Grades:
•30% homework assignments (1 week after assignment)
•20% each two exams
•30% class project (10% presentation; 20% report)
•A>90%; B=80-89%; C=70-79%; D=60-69%; F<60%
 Expectations and observations
• Use office hours as needed (PRIOR to last week of semester).
• No late HW returns
• Exams are open book
• You are expected to use ALL available information and make
assumptions regarding missing parts – don’t get “stuck” due to
lack of information – check, estimate, approximate, & assume
• Pay attention to “rules of thumb” to develop a sense for “order
of magnitude” estimation
• Check if results make sense – no negative volumes, please!
• Use SI units to report results & HW (scientific currency)
• Dimensional inspection – key to success...
• Class project – an opportunity for guided self exploration.
 Class Project – Steps & Milestones
• Identify a topic of interest – discuss with instructor
• Be definitive, original synthesis (no google-projects!)
• Develop 1-2 page proposal by week 3
• Read, study, explore – 1st draft report by week 6
• Project report and presentation ready by week 10
• Format:
Title
Introduction: a brief discussion of the topic, problem formulation
and objectives.
Theoretical basis: governing equations, definitions, parameters.
Solution or Proposed design: key results and figures.
Discussion: discuss assumptions, limitations, significance, broader
applications; integrate transport & engineering challenges.
Literature Cited
Class Project – Topics
• Coupled transport processes in PEM (Polymer Electrolyte
Membrane/Proton Exchange Membrane) fuel cells

• Kinetic aspects of microbial colony growth

• Why are microorganisms small?
• Analysis of microprocessor heat control
• Modeling tumor growth (analytical or numerical)
• Design of slow-release fertilizer capsules
• Lattice Boltzmann method - diffusion or flow modeling
• Energy balance on a single plant leaf
• Gas separation techniques
• Analysis and design of evaporative coolers
• Drug delivery patches
 Week 1-3: Introduction & Mass Transport
• Basic Mass, Momentum and Energy transport processes; micro and
macroscopic views; phenomenological laws; driving forces
(gradient); transport coefficients.
• Definition of fluxes; conservation principles (divergence);
differential elementary volumes and coordinate systems; boundary
conditions; dimensionless numbers.
• Molecular mass transport – Fick’s law of binary diffusion (BSL – Ch.
16); binary gaseous diffusion coefficient – kinetic theory
(molecular dynamics); diffusion in liquids and solids.
• Effective transport properties (diffusion in suspensions and
through pack of spheres).
• Steady and transient diffusion processes in 1-D and higher
dimensions – examples and application to transport problems.
(diffusion through stagnant film; diffusion from a point source;
spherical dissolution; diffusion with 1st order reaction; transient
diffusion into infinite medium; and more…)
Environmental Transport Phenomena - Scope
• Three closely related topics:

 Mass transport of chemical species - diffusion

 Energy transport - heat transfer and radiation

 Momentum transport – fluid dynamics

• They frequently occur simultaneously

• They obey similar basic “laws”/equations
• The mathematical tools for describing these
phenomena are similar and enable analogy
• The molecular mechanisms underlying these
three phenomena are closely related
 Transport Phenomena - Scales
• Three scales of system description:
 Macroscopic scale – system representation
using measurable changes in inputs and
outputs no attempt to resolve details.

 Microscopic scale – examine in detail what

happens at a small region within the
system (DEV, a pore or a grain, etc.) ui
dV

dA
ni
 Molecular scale – fundamental description
of intermolecular motions and forces giving
rise to micro- & macroscale behavior.

Convective transport is due to bulk fluid motion;

Molecular transport is due to molecular or aggregate
of molecules independent of bulk motion.
 Definition of fluxes (macro)
• A flux JM of property M is the quantity of extensive property,
M, which crosses a unit area per unit time (Thomson, 2000)
 Extensive properties are dependent on system size or total quantities
involved [Mass, Energy, Momentum]; The flux of intensive properties
such as temperature and pressure is meaningless.
 A flux may expressed as volumetric concentration of M multiplied by the
velocity of transport perpendicular to area A:
)
2
ρv 2 ⎛ m H ⎞
mv ⎜ ⎟ v = ρ c p (T − Tref ) v x
• Energy flux (KE, heat) – 2 Volume v x = 2 v x ; ⎜⎝ Volume ⎟⎠ x

• Mass flux of A (or molar) – ρ A vx or C Avx

v x = (ρ v x )v x
mv x
• Momentum flux (in x direction) -
Volume
 Phenomenological “laws” of transport
• Transport processes:
 Excited by molecular level (random) motions
 Respond to spatial inhomogeneities (gradients)

 Obey “linear” relationships: Flux = coefficient x gradient

∂ω
• Fick’s law: J Ax = −ρDAB A
∂x
∂T
• Fourier’s law: qx = −k
∂vy ∂x
• Newton’s law: τ zy = −µ
∂z
 Scalars, vectors, and tensors
• Scalar is a quantity invariant under rotation of the coordinate
system (does not operate in any particular direction) –
temperature, density.
• Vector is a directionalrquantity
r represented
r r as 1st order tensor
with 31 components: u = uxi + u y j + uz k velocity, force.
• Stress or momentum transport is represented by 2nd order Tensor
with 32 components: ⎡τ τ τ ⎤
11 12 13

τ = ⎢τ 21 τ 22 τ 23 ⎥⎥
r ⎢

⎢⎣τ 31 τ 32 τ 33 ⎥⎦

• Because momentum is a vector quantity it is difficult to envision its

transport to other directions. The ij double index for τij indicates
j-momentum is being transported in the i direction.
 Gradient and divergence
• The spatial derivative of a scalar, is the gradient, a vector
defined is Cartesian coordinates as: ∂T r ∂T r ∂T r
∇T = i+ j+ k
∂x ∂y ∂z
and in cylindrical coordinate system:

r = ( x2 + y 2 ) ∂T 1 ∂T ∂T
∇T = + +
θ = tan−1⎛⎜ y ⎞⎟ ∂r r ∂θ ∂z
⎝ x⎠
z=z

• The spatial derivative of a vector (e.g., velocity) is known as the

divergence: r ∂ux ∂uy ∂uz it is a scalar….
∇•u = + +
∂x ∂y ∂z
 The International System of Units SI
• All physical quantities are measured and expressed in units.
• We will attempt to use the international system of units (SI system).
• The SI system contains 7 basic units for length, mass, time, electric
current, temperature, amount of substance, & luminous intensity.
• Other physical quantities are expressed in derived units. Force, for
example, is expressed by a derived unit Newton (kgm x m/s2).

Table 1-1: Base Units in the Systeme International (SI) and their Prefixes

Dimension/Property SI Unit Symbol

Length Meter m
Mass Kilogram kg
Time Second s
Electric current Ampere A
Temperature Kelvin K
Amount of substance Mole mol
Luminous intensity candela cd
Derived SI-Units
VELOCITY: Rate at which position changes with time

SI Unit = [m/s]

Distance per Time

s [ L]
v= = [ L T −1 ]
t [T ]

ACCELERATION: Rate of change of velocity with time

SI Unit = [m/s2]

Velocity per Time

v [ L T −1 ]
a' = = [L T −2 ]
t [T ]

FORCE: (Newton’s second law of motion)

SI Unit = Newton [nt] or [N]

Mass times Acceleration

F = m ⋅ a ' [ M ] ⋅ [ L T −2 ]
Derived SI-Units

PRESSURE:

SI Unit = Newton/m2 [nt/m2] = Pascal [Pa]

Force per Unit Area

F [ M LT −2 ] − 2 −1
P= 2
= [ M T L ]
A [L ]

WORK:

SI Unit = Newton m [nt m] = Joule

Force times Distance

W = F⋅s
⎡M L⎤
[
= ⎢ 2 ⎥ [ L] = M L2 T −2
⎣T ⎦
]
 The International System of Units SI
Table 1-1 continued: Base Units in the Systeme International and their Prefixes

Fraction Prefix Symbol Multiple Prefix Symbol

-1
10 deci d 10 deca da
-2
10 centi c 102 hecto h
-3
10 milli m 103 kilo k
-6
10 micro µ 106 mega M
-9
10 nano n 109 giga G
-12
10 pico p 1012 tera T

• A dimension is a qualitative expression of a physical quantity or an

attribute. It may be a basic dimension such as length [L], time [t], or mass
[M], or a derived dimension such as volume [L3], or density [ML-3].
• Dimensional inspection is an important step in verifying the validity of an
equation; the dimensions of all terms must be consistent.
• Writing the equation in dimensional form only, leaving out real values
(numbers), enables algebraic manipulation of dimensions, i.e., dimensions
may be divided, multiplied, and cancelled to simplify the dimensional
equation in terms of basic dimensions.
Dimensions and Unit Conversion
Example 1-1: Dimensions and Unit Conversion

Dimensions: Find the dimensions of pressure in basic units

Solution: Pressure is force divided by the area of its action. The dimensions of force are
-2 2
[MLt ] and those of area are [L ]. Thus, the dimensions of pressure are

F [MLt −2 ] −1 − 2
P= = 2
= [ ML t ]
A [L ]

Units: Convert a pressure of 2.7 kg/cm2 into SI units (Pa = N/m2)

kg kg ⎛⎜ 100 2 cm2 ⎞⎟⎛ 9.806 N ⎞

2.7 = 2.7 2 ⎜
⎜⎜ ⎟⎟ = 264762 Pa = 264.7 kPa
2 2 ⎟ kg
cm cm ⎝ m ⎠⎝ ⎠

http://www.digitaldutch.com/unitconverter/
Differential and integral equations

• Homework problems to refresh basic ordinary

differential equations
• Integral equations – definite and indefinite
• Use of boundary conditions
• Units and dimensions
• For definitions and hints please consult:

MathWorld - A Wolfram Web Resource.

http://mathworld.wolfram.com/PartialDifferentialEquation.html
 Partial Differential Equations
• A partial differential equation (PDE) is an equation involving
functions and their partial derivatives; for example, the wave
equation
(1) ∂ 2ψ ∂ 2ψ ∂ 2ψ 1 ∂ 2ψ
+ 2 + 2 = 2 2
∂x 2
∂y ∂z v ∂t
• in general, partial differential equations are much more difficult
to solve analytically than are ordinary differential equations.
They may sometimes be solved using a Bäcklund transformation,
characteristics, Green's function, integral transform, separation
of variables, or--when all else fails (which it frequently does)--
numerical methods such as finite differences.
• Fortunately, partial differential equations of second-order are
often amenable to analytical solution. Such PDEs are of the form
(2) Au zz + 2 Bu xy + Cu yy + Du x + Eu y + F = 0

Eric W. Weisstein. "Partial Differential Equation." From MathWorld--A Wolfram Web Resource.
http://mathworld.wolfram.com/PartialDifferentialEquation.html
 Partial Differential Equations (2)
• Fortunately, partial differential equations of second-order are
often amenable to analytical solution. Such PDEs are of the form
(2) Au zz + 2 Bu xy + Cu yy + Du x + Eu y + F = 0
• Linear second-order PDEs are then classified according to the
properties of the matrix

as elliptic, hyperbolic, or parabolic.

• If Z is a positive definite matrix, i.e. det(Z)=AC-B2>0; the PDE is
said to be elliptic. Example: Laplace's equation:
(also classified as a Boundary Value Problem)
• If det (Z) < 0 , the PDE is said to be hyperbolic. The wave equation
or is an example.

• If det (Z)=0, the PDE is said to be parabolic. The heat conduction

equation and other diffusion equations are examples.

(also classified as an Initial Value Problem yÆt))

 Diffusion – molecular to macroscopic transport
• Fick’s (1855) first law of diffusion:
∂ω A ∂X A
J Ax = − ρD AB ; J Ax = −CD AB
∂x ∂x
• Random molecular motions
(thermal agitation/
Brownian motion) result in
net flow (diffusion) in the
direction of negative local
concentration gradient.
• Examples: (1) LBM
simulations 2-D diffusion;
(2) particle simulation of
multi-component mixture;
(3) Brownian motion of 1µm
particles in water & viscous
solution.
Drug capsules and patches - diffusion
• Modern methods of drug
delivery ensure a constant
concentration of desired
compound in patient’s blood
stream or in treated tissue.
• Knowledge of diffusion
coefficients & rates through
capsule and tissues.
• Prescribed amounts and
concentrations for effective
and sustainable treatment.
• Similar applications for
fertilizer slow release capsules
used to supply nutrients for
plant growth.
• Micro and macroscopic scales
 Contaminant transport Hanford Site

• The Hanford site near the Columbia

River in southeastern Washington is the
world’s largest cleanup operation.
• Nuclear waste from the Manhattan
project leaks from corroded tanks and
migrates towards the Columbia river.
• Environmental transport issues –
diffusion, convection, flow pathways,
interactions with rock, transformations,
kinetics, buoyancy.
Macroscopic nutrient mass balance - Eutrophication
• The transport of excess nutrients into water bodies can cause
algae bloom resulting in the death of aquatic organisms.
• Solution – Reduce nutrient load (input) using macroscopic
balance principles.