COURSE NUMBER & COURSE TITLE: PO6002 Combustion Chemical Kinetics (CCK)

INSTRUCTOR:Lu Xingcai Li Xinling

Credits: 3

Language of instruction: Chinese / English

REQUIRED COURSE OR ELECTIVE COURSE:

TERMS OFFERED:
Autumn/Spring semester

COURSE STRUCTURE/SCHEDULE:
Lecture, discussion, experiment,
literature review

PRE-REQUISITES:
general
chemistry,
Hydrodynamics

Physical

chemistry,

ASSESSMENT TOOLS:
PROFESSIONAL COMPONENT:
1. Class attendance--10%
Fundmental theory
2. Individual assignments--10%
Development direction
Application practice
3. Experimental report--40%
4. Final project--40%
TEXTBOOK/READING LIST
E.T. Denisov,O.M.Sarkisov, G.I.Likhtenshtein, Chemical Kinetics:Fundamentals and New Developments
Elsvier Science B.V. 2003
COURSE DESCRIPTION: General ideas of CCK, theory of elementary reactions,gas phase reactions,
Detection of active species, Chain reactions, homogeneous catlysis, solid phase reaction, alcohol , ether
and biomass combustion, literature review

COURSE OUTCOMES [Related ME Program Outcomes in brackets]

1. Thorough understanding of elementary reactions, gas phase reaction, chain reactions, catlysis
reaction and solid phase reaction.[A2,A3]
2. Combustion characteristics of traditional and alternative fuel based on the CCK thoery.[A2,A3]
3. Ability to solve the practical combustion problems based on CCK theories.[A2,A3]
4. Reinforce the knowledge of the overall professional field, enhance the ability to combining the
knowledge of classroom and social services. [A3]

RELATED ME PROGRAM OUTCOMES:

A5. Engineering fundamentals
B2. Analytical skills

PREPARED BY:
REVISION DATE:

SUBJECT DESCRIPTION FORM

Subject Title: Combustion Chemical Kinetics (CCK)
& Project
Number of Credits:

Course pre-requisite:

Subject Code: PO6002

Hours Assigned:

Lecture
Tutorial/Project

36 hours
12 hours

General chemistry, Physical chemistry, Hydrodynamics

Co-requisite:
Exclusion:

Course Instructors
Name:

Lu Xingcai

Li Xinling

Office:

ME A512

ME A532

Email:

lyuxc@sjtu.edu.cn

lxl@sjtu.edu.cn

Course Description
Combustion Chemical Kinetics is a major professional basic course for the students
majored in therm-engine, therm-engineering, and environmental engineering. The objective
is to make students have basic understanding for the combustion phenomena and basic
theory, and learn the basic knowledge and theories of thermochemistries, comubustion
kinetics and combustion after this course. Understand the traditional and alternative fuel
combustion characteristics, as well as the formation mechanism of pollutant productions
during combustion. Through the studying of this course, It will be useful for the students on
the future work to improve the combustion equipments, raise energy utilization ratio,
analyse the mechanism and formation of harmful emission, prevent abnormal combustion
phenomena, control and reduce harmful emission.
Objectives:
This course will cover the basics of CCK. Specific topics will include task of this
course, basic theory of gas phase reaction, detection of gas-phase reactions active species,
chain reactions, homogeneous catlysis, solid phase reaction, alcohol/ether/biomass
combustion, solid phase reaction, literature review. The students can explain the combustion
phenomena of traditional and alternative fuel combustion and formation mechanism of
pollutant productions during combustion based on the combustion chemical kinetics
theories. Through the studying of this course, the students can have a comprehensive
understanding of the CCK principle of combustion equipment facility, such as boiler,
internal combustion engine and Steam turbine. The course is intended to provide students

with the following benefits:

1 Basic knowledge and theories of CCK
2Combustion characteristics of traditional and alternative fuel
3Ability to solve the practical combustion problems based on CCK theories.
4Reinforce the knowledge of the overall professional field, enhance the ability to
combining the knowledge of classroom and social services
Course Road Map and Schedule
Week

content

Task of this course and

found mental concept

Elementary gas phase

reaction ()

Elementary gas phase

reaction ()

Detection of gas-phase
reactions active species ()

Detection of gas-phase
reactions active species ()

Discussion

Theory of chain reactions

kinetics

Theory of chain reactions

kinetics

Chain reactions history

()

10

Chain reactions history

()

detailed content
Task of this course, Chemical reaction
rate, law of mass action, Arrhenius law,
history, trend and of CCK
Pair collisions, transition state,
principle of microreversibility,
collision cross section, bimolecular
reaction
potential energy surface(PES),
Reaction threshold energy, collision
frequency factor, morse energy curve,
Method for calculation of constants
Supersonic jet and molecular beam,
laser, Methods of detection of active
species, such as LAS, LIF, IR
Methods for obtaining active species,
unimolecular/bimolecular reactions,
femtochemistry
A review about one method of
detection of active species based ones
major field
chain reactions in combustion field,
characteristics of chain reactions, steps
of chain reaction, patterns of chain
generation/propagation/termination
Chain branched reactions, competition
of chain and molecular reactions,
kinetics regularities of chain reaction,
hydrogen combustion
Reactions of alkyl radicals with
dioxygen, reaction of RO2 with C-H
bond, isomerization of peroxyl radicals
Inhibition of oxidation reactions,
identification of radicals and
intermediate products of chain
reaction, free radical acceptor,
inhibitors of chain reactions

Lectu
res

expe
rime
nts

Disc
ussi
on

Prac
tice

2
2
2

Consulting&
Special
lectures

11

Catlysis reaction kinetics

()

12

Catalysis reaction
kinetics ()

13

Non- isothermy solid

phase reaction kinetics

14

Non- isothermy solid

phase reaction kinetics

15

16

17

Hydrocarbon/Alcohol/ether/
biomass/ synthetic fuel/
Commercial fuel/coal
combustion
Hydrocarbon/Alcohol/ether/
biomass/ synthetic fuel/
Commercial fuel/coal
combustion
Hydrocarbon/Alcohol/ether/
biomass/ synthetic fuel/
Commercial fuel/coal
combustion

18

Discussion

19

Literature review

20

21

22

Fundamental
combustion experiment
based on flame burner
Fundamental
combustion experiment
based on rapid
compression machine
Fundamental
combustion experiment
based on shock tube
Total class hour : 48

Catalytic reactions, Catalyst activity

and poisoning, Physical adsorption
and chemical adsorption, Adsorption
isotherm
Surface unimolecular/bimolecular
reaction, homogeneous/
heterogeneous
catalysis, multi-stage Catalytic
reactions, inhibitors and activators in
catalysis, Catalytic reactions for
hydrocarbon fuel
Differential thermal analysis, Thermal
gravimetric analysisNon- isothermy
gravimetric analysis, DTA&DSC
solid phase reaction
Several topic about thermal analysis,
example for solid phase reaction
kinetics based on Non- isothermy
gravimetric analysis, law of solid phase
reaction rate, law of nucleation rate

General kinetics of oxidation for

alkane/ alkene/aromatic and oxygen
fuel

Biomass pyrolysis gas oxidation and

combustion, coal combustion

Design mechanism for

Gasoline/diesel/airline alternative fuel
and methodology, Simplified method
for Chemical kinetics
A description about one innovatory
apparatus patent according to ones
major field
10~15 classical and latest literatures
according to the course contonts

2
6

Flame observation

General kinetics of fuel combustion

Elementary processes at high/low

temperature

2
32

Teaching style
The course has been designed to demand 48 class hours in total. Beside the lecture, the
experiments will be conduct in the Internal Combustion Engine Institute based on the
foundmental combustion experimmental apparatus, such as flame burner, rapid compression
machine and shock tube. The students will be asked to observe and join in the experiments of
combustion.
Experiment contents:
1.
Fundamental combustion experiment based on flame burner
Observe and picture the shapes of premixed flames and diffusion flames by digital
camera or CCD, measure the flame speed
2. Fundamental combustion experiment based on rapid compression machine
(RCM)
General kinetics of fuel combustion, experimental tools include RCM, LIF, and GCMS
apparatus
3. Fundamental combustion experiment based on shock tube
Elementary processes at high/low temperature, experimental tools include shock tube,
LIF, and GCMS apparatus
Discussion
1.
2.

A review about one method of detection of active species based ones major field
A description about one innovatory apparatus patent according to ones major field

Individual assignments
1. The first Individual assignments is about the Elementary gas phase reaction
2. The second Individual assignments is about the Chain reactions history
Final Projects
One can choose either of the topics as below:
1. A review of the technologies and methods in ones research field of improvement of
the combustion equipments, raise energy utilization ratio, prevent abnormal combustion
phenomena, control and reduce harmful emission, depending on the basic theories of
CCK.
2. To study the Chemiken software independently, and to conduct the work of
simulation depending on CCK, and to simulate the CCK process for
gasoline/diesel/airline fuel/bio-fuel/caol combustion

Method of Assessment:
Course activities are weighted in the following way:
1
2
3
4
5

Class attendance
Individual assignments
Experimental report
Final project
Peer assessments

10%
10%
40%
40%
2 times

Class attendance
Attendance of students in class includes performance, discussion, in-class exercises and
presentation. Good results depend on whether you are a good listener, and whether you are the
participant concise or articulate and whether your answer is exactly.
Individual assignment
The individual assignment is 2 times. The mark depends on the accuracy of the answer.
Experimental report
There are 3 experimental reports. The team is demanded to finish the experimental design,
experimental record and experimental report, and the experimental reports iare the final
assignments. The marks depend on the rationality of the experimental design, on the operation
of the experiment and on the reliability of the experimental data. The experimental design
need to be prepared before the experiment with the instruction of the teacher. Detailed record
and processing data is needed after the experiment. The experimental reports must be
submitted timely when the experiment is finished.

Reference books:

E.T. Denisov, O.M.Sarkisov, G.I.Likhtenshtein,

Chemical Kinetics: Fundamentals and New
Developments Elsvier Science B.V. , 2003