Molecular

Transport Phenomena

Today
whats the course about?
hows the course organized?
ConCnuum approximaCon
MTP, Monday Aug 31, 2015

Team
Teacher

Dr. ir. Volkert van Steijn

Teaching assistants

MSc Dayinta Perrier BSc Daniele Angelini

Product & Process Engineering (PPE) group -cheme.nl/ppe/

BSc Debby den Besten

Whats the course about?

[ what do you expect?]

Switching between molecular and

macroscopic descripCon
Example 1: diusion
macro

molecular

Up Cll now: diusion coecient given in problems.

MTP: allows you to come up with an esCmate of D.

Switching between molecular and

macroscopic descripCon
Example 2: Surface tension
macro

molecular

Switching between molecular and

macroscopic descripCon
Example 3: Charges
macro

molecular

Learning objecCves
Students who pass this course are able to:

use simple microscopic models to derive expression for
quanCCes observed at macroscale, and esCmate the order of
magnitude of these quanCCes using these expressions;
use the Maxwell-Stefan model to solve simple mulCcomponent
diusion problems;
predict whether the steady state of a process is stable based
on a tool called linear stability analysis; (not in 2015-2016)
set up, simplify, and solve equaCons that describe transport
phenomena involving the shape and moCon of interfaces and
charges.

ConnecCon to other courses

MSc
Applied Transport Phenomena
Interfacial engineering
Reactors and KineCcs
Applied Numerical Methods
Molecular Thermodynamics

BSc
Process Technology 1, Process Technology 2
Physical Chemistry & KineCcs
Physical Transport Phenomena
MathemaCcs & staCsCcs classes

Required entry level

BSc level Transport phenomena
We assume you understand

- (micro) balances
- dimensional analysis, dimensionless groups
- penetraCon theory, lm theory, Poiseuille ow, etc.

BSc level Calculus (di. eq.) and vector math
We assume you understand

- how to solve elementary di. eq.

(see e.g. OCW @ MIT: 18.01 and 18.02,
for instance available on i-tunes U)

[what undergrad classes

on TP did you pass?]

If entry level is rusty

Go back to your BSc course material NOW!!!
Do not wait unCl the exam, you will have several exams
then and no Cme to refresh
Hands-on sessions

OrganizaCon

Your schedule

Carefully put together that course load

for dierent courses is properly distributed.

Detailed schedule MTP

MTP$2015,2016
2nd,hour
Test$(prior$knowledge)
Working$class$(TP$refresh)
Kin.$Gas$theory
Working$class$(TP$refresh)

week
1

date
Aug$31,$15
Aug$31,$15
Sep$3,$15
Sep$3,$15

Time
8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

1st,hour,
Intro
Working$class$(TP$refresh)
Kin.$Gas$theory
Working$class$(TP$refresh)

Location
ChE,CZ$B
ChE,VZ$D
ChE,CZ$B
ChE,VZ$D

Sep$7,$15
Sep$7,$15
Sep$10,$15
Sep$10,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

Random$walk
Pressure$on$the$wall
Working$class$(TP$refresh)
Working$class$(TP$refresh)
Test,1:,TP,,kinetic,gas,theory
Test,1:,TP,,kinetic,gas,theory
Working$class:$Matlab$random$walkworking$class:$Matlab$random$walk

ChE,CZ$B
ChE,VZ$D
DW,TZ$2
CT,PC$0.20

Sep$14,$15
Sep$14,$15
Sep$17,$15
Sep$17,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

Langevin
Working$class
Maxwell$stefan
Working$class

diff$coefficients
Working$class
Maxwell$stefan
Working$class

ChE,CZ$B
ChE,VZ$D
ChE,CZ$B
ChE,VZ$D

Sep$21,$15
Sep$21,$15
Sep$24,$15
Sep$24,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

Maxwell$stefan$,$electric$stuff
Working$class
T.B.A.
Working$class

Maxwell$stefan
Working$class
Surface$tension$,$statics
Working$class

ChE,CZ$B
ChE,VZ$D
ChE,CZ$B
ChE,VZ$D

Sep$28,$15
Sep$28,$15
Oct$1,$15
Oct$1,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
11:00$,$12:00

no$lecture
no$working$class
Test,2:,chapter,2,>,3,,syllabus
Surface$tension$,$statics

no$lecture
no$working$class
Test,2:,chapter,2,>,3,,syllabus

Oct$5,$15
Oct$5,$15
Oct$8,$15
Oct$8,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

Surface$tension$,$dynamics
Working$class
Mobiliteit$(charges)
Working$class

Surface$tension$,$surfactants
Working$class
debye$laag
Working$class

ChE,CZ$B
ChE,VZ$D
ChE,CZ$B
ChE,VZ$D

Oct$12,$15
Oct$12,$15
Oct$15,$15
Oct$15,$15

8:45$,$10:30
10:45$,$12:30
8:45$,$10:30
10:45$,$12:30

electroosmose
question$hour
exam$prep
question$hour

electrophoresis
question$hour
exam$prep
question$hour

ChE,CZ$B
ChE,VZ$D
ChE,CZ$B
ChE,VZ$D

Oct$20,$15 8:45$,$10:30

Test,3:,all

test,3:,all

TN,TZ$F4.25

Oct$28,$15 10:45$,$12:30
Oct$30,$15 14:00$,$17:00

discussion$test$3

question$hour
ChE,CZ$B
Full,exam,(for,those,who,did,not,pass,the,course,based,on,tests) CT,IZ$4.98$&$4.99

TN,TZ$F4.25
ChE,CZ$B

see blackboard;
carefully check loca@ons, they might be subject to
change.

Assessment
Cumula@ve tes@ng
Test 1 (0.15) Sept 10, 8:45 10:30, DW-TZ 2
Test 2 (0.35) Oct 1, 8:45 10:30, TN-TZ F4.25
Test 3 (0.50) Oct 20, 8:45 10:30, TN-TZ F4.25
Pass: weight-averaged grade 6

If you did not pass the course based on the three tests:
Exam Oct 30, 14:00 17:00, CT-IZ 4.98 & 4.99

Allowed resources during tests/exams:
- simple pocket calculator (no graphical calculator)

AbbreviaCons:
DW - Cornelis Drebelweg 5 (building 35), TN Applied physics building, CT Civil Eng. building

Study material
1. Crash course Transport Phenomena
SecCon on BB provides exercises that help you brush up your prior knowledge on
transport phenomena and mathemaCcs.

2. Transport Phenomena Data Comp by Warmoeskerken (also available as app)
Certainly useful, but not allowed during the tests.

3. Syllabus
On BB; covers all material, with relevant exercises at the end of each chapter.

4. Book on mul@ component diusion
Relevant chapters provided on BB.

Other suggested book:
- KineCc theory of gases Physical Chemistry by Engel and Raid
- surface tension: Capillarity and Wesng Phenomena by de Gennes
- see syllabus for other suggesCons.

Time management
Credits:
84 hours (3 ECTS 3 x 28 h)
Lectures: 46 hours
(excluding tests)
----------------------------------------------------------------------------------------------------
Self study: 38 hours

Tough course
This calculaCon excludes extra hours needed to
catch up on basic Transport Phenomena and math

Course material

htp://blackboard.tudelu.nl/

[ All access? All enrolled?

All printed syllabus?]

Course material

htp://collegeramacolleges.tudelu.nl/online/all-faculCes/college-tnw_en/

Lets start

ConCnuum approximaCon
What is it?

When is it valid?

Read Deen Chapter 1.6 on Blackboard

ConCnuum approximaCon
What is it?

Variables such as temperature, density, concentraCon, and

velocity are conCnuous funcCons of the posiCon

ConCnuum approximaCon
When is it valid?

For volumes V that contain a sucient number of

molecules such that uctuaCons arising from the discrete
nature of molecules are negligible

ConCnuum approximaCon
When is it valid?

QuesCon 2: whats the size of V ?

QuesCon 1: how many is sucient?

For volumes V that contain a sucient number of

molecules such that uctuaCons arising from the discrete
nature of molecules are negligible

How many is sucient?

Law of large numbers:
- variaCons go with N-1/2
- N = 100 ! 10% deviaCon
- N= 10000 ! 1% deviaCon

A modern introducCon to probability and staCsCcs

by Dekking et al. , Springer (chapter 13)
Used for the BSc course StaCsCcal methods (4052STAMEY)

Exercise:
Predict minimum size V?
For gases (given: T = 293K, p = 1atm)
V = 4.10-22 m3
L = V1/3 = 74 nm

[derive yourself]

For liquids (given: = 103 kg/m3, M = 30 g/mol)

V = 5.10-25 m3
L = 8 nm

[derive yourself]

Use safety factor or 10

Watch out at high T and small p for gases
Read Deen Chapter 1.6 on Blackboard

What if conCnuum approximaCon

is not valid?
Use a stochasCc approach
- beyond scope of this course
- covered in e.g. Reactors & KineCcs

PreparaCon for Thursday

1. Brush up your knowledge on calculus & transport
phenomena:
- look up your BSc calculus and transport phenomena book(s)
- make exercises; prepare the hands-on session

2. Read chapter 1 of Deens book.

3. Pre-read chapter 2 of syllabus (up to 2.6)