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Estimation not applied properly #712

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ianhbell opened this issue Dec 16, 2024 · 1 comment
Open

Estimation not applied properly #712

ianhbell opened this issue Dec 16, 2024 · 1 comment
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bug regression-10.0 regression added since 10.0
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@ianhbell
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See #710, the estimation scheme from Bell and Lemmon, JCED, 2016 does not get applied properly in the development version. I think this was broken while fixing the bugs with ordering of components. Code:

import os 
import ctREFPROP.ctREFPROP as ct 

root = '/Users/ihb/REFPROP10'
assert(os.path.exists(root))
RP = ct.REFPROPFunctionLibrary(root+'/librefprop.dylib')
RP.SETPATHdll(root)

r = RP.REFPROPdll("propane;acetylene", "TP", "M(2);QMASS", RP.MKS, 0, 0, 200, 2814.55090000000018335, [])
print(RP.GETKTVdll(1,2)) # Should have two non-default entries in fij, not just one 

yielding the correct result

GETKTVdlloutput(hmodij='XR0', fij=array('d', [0.9971145563963134, 1.034558645830517, 1.0, 1.0, 0.0, 0.0]), hFmix='estimated by ESTBNC', hfij='BetaT   GammaT  BetaV   GammaV not usednot used', hbinp='Mixture data have not been fitted for this binary pair; the mixing parameters have been estimated.', hmxrul='XR0  Reducing functions only')

while the development code yields the incorrect result

GETKTVdlloutput(hmodij='XR0', fij=array('d', [1.0, 1.034558645830517, 1.0, 1.0, 0.0, 0.0]), hFmix='estimated by ESTBNC', hfij='BetaT   GammaT  BetaV   GammaV not usednot used', hbinp='Mixture data have not been fitted for this binary pair; the mixing parameters have been estimated with the method of Bell and Lemmon (2018) for hydrocarbons.', hmxrul='XR0  Reducing functions only')
@ianhbell ianhbell added this to the 10.1 milestone Dec 16, 2024
@ianhbell ianhbell added bug regression-10.0 regression added since 10.0 labels Dec 16, 2024
@ianhbell
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ianhbell commented Dec 17, 2024

The problem is that the estimation is applied properly, but not stored in the right place(s), and thus the properties differ.

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