Clapeyron.jl
Clapeyron.jl copied to clipboard
Bug Fixes for example notebooks
It's been a while since we've checked the example notebooks to see if they still run and, in the process of checking them, I found a few bugs:
- [x]
cubic_eos.ipynb
: Any VTPR examples no longer run withbubble_pressure
just givingNaN
.
julia> model = VTPR(["carbon monoxide","carbon dioxide"])
PR{BasicIdeal, TwuAlpha, RackettTranslation, VTPRRule{VTPRUNIFAC{BasicIdeal}}} with 2 components:
"carbon monoxide"
"carbon dioxide"
Contains parameters: a, b, Tc, Pc, Mw
julia> bubble_pressure(model,218.15,[1e-5,1-1e-5])
(NaN, NaN, NaN, [NaN, NaN])
- [x]
GE_mixing_SAFT.ipynb
:bubble_temperature
no longer takesT0
as an initial guess for activity coefficient models - [x]
user_defined_eos.ipynb
: We've updated SAFT-VR Mie and that needs to be reflected here. - [ ]
multi-component_vle_vlle_lle_crit.ipynb
: There's unfortunately a few bugs here:- [x] For the 12-component pT-isopleth, SAFT-gamma Mie struggles to split the model:
julia> model4 = SAFTgammaMie(["methane","nitrogen","carbon dioxide","ethane","propane","butane","isobutane",
"pentane","isopentane","hexane","heptane","octane"]);
julia> x =[0.833482,0.056510,0.002840,0.075260,0.020090,0.005200,0.003050,0.001440,0.001200,0.000680,0.000138,0.000110];
julia> bubble_pressure(model4,150.,x)
┌ Error: SAFTVRMie{BasicIdeal} cannot be splitted
- [ ] For the T-xxy diagram of methanol+cyclohexane, SRK predicts the wrong vle and lle.