Hi, running this notebook stops at 3rd input cell with error: <p

reproducer: <div class="snippet-clipboard-content notranslate position-relative ov

the real reproducer: <div class="snippet-clipboard-content notranslate position-re

LinearAlgebra.SingularException in examples/multi-component_vle_vlle_lle_crit notebook about clapeyron.jl HOT 3 OPEN

tkeskita commented on August 16, 2024

LinearAlgebra.SingularException in examples/multi-component_vle_vlle_lle_crit notebook

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Comments (3)

longemen3000 commented on August 16, 2024

reproducer:

function error_172_reproducer()
    x = [0.96611,0.01475,0.01527,0.00385]
    T = 202.694
    v0 = [-4.136285855713797, -4.131888756537859, 0.9673991775701574, 0.014192499147585259, 0.014746430039492817, 0.003661893242764558]
    model = PCSAFT(["methane","butane","isobutane","pentane"])
    bubble_pressure(model,T,x;v0 = v0)
end

it is important to note that the point that fail is the last one (the critical temp). it is inherently hard to solver at those conditions. what happened probably is that the phases merged into one, i suppose?

if we use crit_mix:

julia> crit_mix(model3,[0.96611,0.01475,0.01527,0.00385])
(202.66602773754164, 5.908687689953082e6, 7.316560337045216e-5)

seems that the critical point for that particular model is lower than the one anotated

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longemen3000 commented on August 16, 2024

this particular case was added as a test. by a refactoring on how bubble and dew pressure points are calculated, this specific error does not appear anymore with this combination of inputs

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longemen3000 commented on August 16, 2024

the real reproducer:

B = [-1.4519728743587657 1.451736284830506 -5.934368273445117 -1.0154003713150401 -1.4228901646890824; 5.066334307448492 -5.0664684779036735 -12.664926271615439 -64.5322835331547 -3.47142940880429; 4.537903653187883 -4.538068926327418 -12.56861224579578 -2.823162310529271 -64.73486778751243; 6.566654980630976 -6.566792578100933 212.82034111192326 224.37059305703244 223.668115325478; -0.47703263656109995 0.4769349928972182 -2.0794364795445763 -0.46597769049243537 -0.6415589206816118]

g = [1.9713002873173745e-9, -6.777883544599869e-9, -5.328619868058899e-9, -1.1566711761221415e-8, 6.496464364696421e-10]
B \ g #errors

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