pykpp is a KPP-like chemical mechanism parser that produces a box model solvable by SciPy's odeint solver
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Run Examples No installation
- Requires a google account.
- Uses Google's Colab
- Click Badge
Running Instructions
- Open DOS Prompt on Windows or Terminal on Linux/Mac OSX
- Type 'python -m pykpp model.kpp' where model.kpp is a valid KPP input file.
- Example below assumes Installation and that mcm_ch4.kpp has been downloaded to the working folder
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- Example input files can be downloaded from https://github.com/barronh/pykpp/tree/master/src/pykpp/models and are also in the models folder of pykpp source
Install Instructions
Instructions
- Install Anaconda (https://www.continuum.io/downloads)
- Download release version zip file from github. (or source)
- Extract zip file
- navigate to extracted folder pykpp-X.Y (the unzipped folder from pykpp-X.Y.zip)
- Install pykpp from DOS terminal or terminal on Mac/Linux Supertab for whatsapp mac download.DOS:
python.exe setup.py install
Terminal:python setup.py install
- Run
simple_organic
test case - Copy
simple_organic.kpp
andekma.py
from test folder (either through github or from source - navigate to where you downloaded
simple_organic.kpp
andekma.py
- Run pykppDOS:
python.exe -m pykpp simple_organic.kpp -c ekma.py
Terminal:python -m pykpp simple_organic.kpp -c ekma.py
- Compare ekma.png, which is an EKMA diagram, to
Figure 6.12 from Seinfeld & Pandis ACP 2nd ed. 2006
(search Google Books for that phrase to compare). - Do something more complicated (see Using pykpp with MCM)
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Using pykpp with a MCM Extraction
Adapt mcm kpp output for pykpp following these steps.
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- Fix line endings (mixed linux/windows)
- Remove header comment (First 16 lines)
- Remove everything above
#INCLUDE F90_RCONST
- replace
F90_RCONST
withPY_UTIL
- replace
USE constants
with 2 linesadd_world_updater(func_updater(Update_M, incr = 300))
add_world_updater(func_updater(Update_THETA, incr = 300))
- remove comment lines (preceded by
!
) - replace
RO2 = & C(ind_XXX1) + C(ind_XXX2) + ..
withRO2 = y[[ind_XXX1, ind_XXX2, ..]].sum()
- remove
CALL mcm_constants(time, temp, M, N2, O2, RO2, H2O)
line - Game downloader app for android. https://passrenew951.weebly.com/aileron-font-download-for-mac.html. replace all
D-
andD+
wite-
ande+
(also check for#D#
, which is an implicit +, and replace as necessary) - wrap code in
add_world_updater(code_updater(''<CODE GOES HERE>'', incr = 300))
For example, methane chemistry changes from
and become
![For For](/uploads/1/3/4/2/134219881/536918586.jpeg)
- Replace
= :
with= DUMMY :
in equations - Replace
J(##)
withMCMJ(##, THETA)
- Move any species you want as constants from reactants to rate constant and comment them out as products.
- Add intialization code. For example,
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The mcm_ch4.kpp file under pykpp/models was extracted by selecting CH4 from the MCM website, and exporting KPP format with inorganic reactions and rate constants on 2016-01-28 at 10:00am and converted following the steps described above. It can be used as a reference.