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Ion gas transport #552

Merged
merged 2 commits into from
Oct 9, 2018
Merged

Ion gas transport #552

merged 2 commits into from
Oct 9, 2018

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BangShiuh
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This PR is an update to ionGasTransport. The experimental data of collision integral of O2/O2- is used instead of stockmayer-(n,6,4) model due to resonant charge transfer effect.

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codecov bot commented Aug 22, 2018

Codecov Report

Merging #552 into master will increase coverage by 0.03%.
The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #552      +/-   ##
==========================================
+ Coverage   64.91%   64.94%   +0.03%     
==========================================
  Files         386      386              
  Lines       40787    40859      +72     
==========================================
+ Hits        26475    26537      +62     
- Misses      14312    14322      +10
Impacted Files Coverage Δ
include/cantera/transport/IonGasTransport.h 100% <ø> (ø) ⬆️
src/transport/IonGasTransport.cpp 84.54% <100%> (+1.45%) ⬆️
include/cantera/thermo/PDSS_Water.h 0% <0%> (-100%) ⬇️
src/transport/WaterTransport.cpp 56.52% <0%> (-36.08%) ⬇️
include/cantera/transport/WaterTransport.h 0% <0%> (-33.34%) ⬇️
src/transport/TransportFactory.cpp 45.56% <0%> (-0.17%) ⬇️
src/thermo/ThermoFactory.cpp 76.52% <0%> (-0.11%) ⬇️
include/cantera/thermo/ThermoFactory.h 100% <0%> (ø) ⬆️
src/clib/ctonedim.cpp 0% <0%> (ø) ⬆️
include/cantera/thermo/WaterSSTP.h 100% <0%> (ø) ⬆️
... and 8 more

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@speth speth left a comment

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This looks good to me. These are just a couple of minor suggestions.

vector_fp temp{300.0, 400.0, 500.0, 600.0, 800.0, 1000.0,
1200.0, 1500.0, 2000.0, 2500.0, 3000.0, 4000.0};
vector_fp om11_O2{120.0, 107.0, 98.1, 92.1, 83.0, 77.0,
72.6, 67.9, 62.7, 59.3, 56.7, 53.8};
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These arrays can be constant and fixed size, e.g. const double temp[] = {300.0, ...};

// set up O2/O2- collision integral [A^2]
// Data taken from:
// Prager, Jens. Modeling and simulation of charged species in
// lean methane-oxygen flames. Diss. 2005. Page 104.
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I think the better place to document this (in full) would be in the docstring for the IonTransport class, so that this information appears in the documentation, then here you can just write that these are from "Prager (2005)".

@speth speth merged commit 87b042a into Cantera:master Oct 9, 2018
@BangShiuh BangShiuh deleted the ionGasTransport branch December 2, 2018 17:29
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2 participants