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Crit props 2018#574

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speth merged 2 commits intoCantera:masterfrom
decaluwe:critProps_2018
Dec 11, 2018
Merged

Crit props 2018#574
speth merged 2 commits intoCantera:masterfrom
decaluwe:critProps_2018

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@decaluwe
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This supercedes #464

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codecov bot commented Nov 17, 2018

Codecov Report

Merging #574 into master will increase coverage by 0.04%.
The diff coverage is 90.27%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #574      +/-   ##
==========================================
+ Coverage   64.01%   64.05%   +0.04%     
==========================================
  Files         388      388              
  Lines       41410    41476      +66     
==========================================
+ Hits        26507    26566      +59     
- Misses      14903    14910       +7
Impacted Files Coverage Δ
include/cantera/thermo/RedlichKwongMFTP.h 100% <ø> (ø) ⬆️
test/thermo/RedlichKwongMFTP_Test.cpp 100% <100%> (ø) ⬆️
src/thermo/RedlichKwongMFTP.cpp 55.82% <89.06%> (+2.6%) ⬆️

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It looks like the implementation for reading the critical properties is more or less working, but I have some concerns about the current version of the property database.

Adds capability for RedlichKwongMFTP to read a database of critical properties
for Tc and Pc of common species, so that users do not need to input pureFluidParameters
for every single species, thereby reducing burden during creation of new cti files.

For any species where pureFluidParameters are not provided by the user, function
getCoeffs scans the database looking for matches.  Any unmatched species will throw
an error.  Currently only scans by species name string, and is only intended for
common species with well-known critical properties.

Current operation is quite slow if the table is consulted for a large number of
species.  In the future, should also implement the capability to write the updated
pureFluidParameters back into the xml file, so the user only has to perform the lookup
once.
@speth speth merged commit 0257c48 into Cantera:master Dec 11, 2018
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2 participants