Program of the Training School
Lectures
Computer sessions
Poster session
Social activity
Schedule
| September 2 Tuesday |
September 3 Wednesday |
September 4 Thursday |
September 5 Friday |
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| 8:00-8:30 |
registration |
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| 8:30-9:30 |
lecture 1-1 Turányi |
lecture 2-1 Tomlin |
lecture 3-1 Nagy |
8:30-9:30 |
practice 4-1 Nagy |
| 9:30-9:45 |
short break |
short break | short break | 9:30-10:00 | break with refreshments |
| 9:45-10:45 |
lecture 1-2 Turányi |
lecture 2-2 Tomlin |
lecture 3-2 Goussis |
10:00-11:00 | practice 4-2 Szanthoffer |
| 10:45-11:00 | break with refreshments | break with refreshments | break with refreshments | 10:00-11:30 | break with refreshments |
| 11:00-12:00 | lecture 1-3 Tomlin |
lecture 2-3 Nagy |
lecture 3-3 Goussis |
11:30-12:30 | practice 4-3 Nagy |
| 12:00-12:15 |
short break |
short break | short break | ||
| 12:15-13:15 | lecture 1-4 Szanthoffer |
lecture 2-4 Stagni |
lecture 3-4 Tomlin |
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| 13:15-14:30 | lunch break | lunch break | lunch break | ||
| 14:30-15:30 |
poster session | practice 2-1 Papp |
practice 3-1 Tomlin |
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| 15:30-16:00 |
poster session | break with refreshments | break with refreshments | ||
| 16:00-17:00 |
poster session |
practice 2-2 Valkó |
practice 3-2 Dinelli |
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| 18:00-21:00 |
networking event |
Lectures
Tuesday 1-1 (Turányi)
Reaction kinetics basics for combustion simulations; local sensitivity analysis
Tuesday 1-2 (Turányi)
Uncertainty of data and parameters
(uncertainty of combustion measurements, rate coefficients, Arrhenius parameters and thermodynamic data)
Tuesday 1-3 (Tomlin)
Chemical kinetics data
(sources of data, conventional and automatic mechanism generation (AMG), use of machine learning in AMG and rate constant estimation)
Tuesday 1-4 (Szanthoffer)
Validation of detailed combustion mechanisms
Wednesday 2-1 (Tomlin)
Global uncertainty analysis 1
(screening methods; Monte Carlo methods and structured sampling approaches using Latin hypercube and low discrepancy sampling sampling)
Wednesday 2-2 (Tomlin)
Global uncertainty analysis 2
(variance based sensitivity indices, HDMR, polynomial chaos methods)
Wednesday 2-3 (Nagy)
Optimization of detailed combustion mechanisms
Wednesday 2-4 (Stagni)
Curve matching, Surface matching optimization
Thursday 3-1 (Nagy)
Reduction of reaction mechanisms 1
(creation of skeleton mechanisms)
Thursday 3-2 (Goussis)
Reduction of reaction mechanisms 3
(time scale analysis, methods based on time-scale separation)
Thursday 3-3 (Goussis)
Reduction of reaction mechanisms 4
(methods based on time-scale separation: CSP, ILDM, ISAT, REDIM)
Thursday 3-4 (Tomlin)
Reduction of reaction mechanisms 2
(fitted models, in-situ tabulation and species lumping)
Hands-on computer sessions
Please bring your Windows or Linux laptop with all codes preinstalled.The suggested codes include MATLAB, Fortran and C++ source codes, Windows and Linux executable files (see the table below).
Wednesday P2-1 (Papp)
CombustionData and ReSpecTh web sites
Wednesday P2-2 (Valkó)
k-evaluation web page
Thursday P3-1 (Tomlin)
High Dimensional Model Representation
GUI-HDMR code
Thursday P3-2 (Dinelli)
POLIMI codes: OpenSMOKE++, OptiSMOKE++
Friday P4-1 (Nagy)
Skeletal mechanism reduction in practice
Friday P4-2 (Szanthoffer)
Using the Optima++ code for mechanism validation
Friday P4-3 (Nagy)
Using the Optima++ code for mechanism optimization
Master table of the codes:
| name | session | format | available from |
|---|---|---|---|
| CombustionData | Wed P2-1 (Papp) | web site | https://combustiondata.elte.hu |
| ReSpecTh | Wed P2-1 (Papp) | web site | https://respecth.hu |
| k-evaluation | Wed P2-2 (Valkó) | web site | https://k-evaluation.elte.hu |
| GUI-HDMR | Thu P3-1 (Tomlin) | MATLAB executable | https://respecth.hu |
| OpenSMOKE++ | Thu P3-1 (Dinelli) | executable (Windows and Linux) |
https://www.opensmokepp.polimi.it |
| SEM | Fri P4-1 (Nagy) | executable (Windows and Linux) |
http://respecth.hu |
| Optima++ | Fri P4-2 (Szanthoffer) Fri P4-3 (Nagy) |
executable (Windows and Linux) |
http://respecth.hu |
Poster session
Main topics
- Reaction kinetics basics
- Sources of kinetics data
- Pathway analysis
- Local sensitivity analysis
- Global uncertainty analysis
- Uncertainty quantification
- Time-scale analysis
- Mechanism reduction
- Validation of mechanisms
- Optimization of mechanisms
- ReSpeTh information system
Hungarian Section
The COST Training School on the Analysis of Combustion Mechanisms is hosted by the Hungarian Section of the
Combustion Institute
Recommended reading
Tamás Turányi and Alison S. Tomlin:
Analysis of kinetic reaction mechanisms
Springer, 2014
with 1025 references
Social activity