During the semester (~ 6th week), one written test (alpha test = 20 points) will take place.
A final test (beta test = 80 points) will take place during the exam period (after week 14). Three attempts to complete the final beta test will be available, but the final mark will be calculated from your last attempt (maybe not the best).
final pts = alpha + beta(last)
Dates for the final test will be announced during the semester and it is assumed that there will be one term per week.
|
Mark |
Upper limit (Pts) |
Lower limit (Pts) |
|
A |
100 |
91 |
|
B |
90 |
81 |
|
C |
80 |
71 |
|
D |
70 |
61 |
|
E |
60 |
51 |
|
F |
50 |
0 |
| Exercise | Description | File |
| 1.2 | Linearly independent reactions | independent_reac.m chckstoi.m printreac.m |
| 1.4 | Calculation of reaction extent | reac_extent.xls |
| 1.5 | Mass balance with element conservation equations | masseq.m compounds.dat element.dat flow.dat weights.dat |
| X.X | Mass balance of NOx selective reduction | noxselox_b.m compounds.dat element.dat flow.dat |
| X.X-2 | Mass balance of NOx selective reduction - corrected version! | noxselox_b_ver2.m compounds.dat element.dat flow.dat |
| 1.6 | Chemical equilibrium in dry methane reforming | main.m |
| 1.7 | Equilibrium in multireaction system (no fsolv) | multireaceq.m newrap.m input.dat fcompm.m fkxi.m prtrcell.m |
| 2.3 | Calculation of EA from k=f(T) | eaestim.m data.txt |
| 2.5 | Solving simple reaction rate expressions cA=f(t) | simple_genrk_M.m prtrcell.m genrk-input.dat |
| 2.X | Polymerization - SSH | Kinetics_polymerization.pdf polymer.m dcdt.m ode15s.m (only if using OCTAVE!) RESULT.png |
| 3.4 | Phosgene synthesis | BATCH_phosgene.m PFR_phosgene.m newrap.m jacobianest.m |
| 3.6 | System of CSTR (comparison with BATCH and PFR) | batch_cstr_1.m image.png |
| 4.1 | SO2 oxidation, isothermal, adiabatic and optimal temperature profile | main_so2so3.m dfdv.m so2so3_adiab_isoT.png maxrate.m maxrate_SO2.png |
| 4.X | Xylene oxidation to PAH (XY + 3 O2 --> PAH + 3 H2O) | pfr1.m dfun.m xy_ox.png |
| Name | Description | License | Website | Note |
| Matlab | Numerical computing environment and high-level programming language | Proprietary | MathWorks | Available on PC's in ICTP domain. |
| Octave | High-level numerical computing language | GPL, Free |
Octave
QT-octave, GUI GUI Octave, GUI (win. only) |
Mostly compatible with Matlab. Contains all needed routines (toolboxes) for NEQ, ODE, PDE solving. Works on most common operating systems. |
| Athena Visual Studio | Modeling, Optimization and Nonlinear Parameter Estimation suite | Proprietary | Athena | Uses it's own scripting language to generate a FORTRAN source code, which can be subsequently modified. Accessible on computers of Inorganic Technology department catalysis group . |
| FORTRAN | Programming language for scientific high-performance computing. Mother of all scientific computing. |
GFortran
Intel, non-commercial |
||
| Maxima | Computer algebra system, for symbolic math tasks. | GPL, Free | Maxima | Works on most common used operating systems. |
