Pierre Walker
Pierre Walker
I can get four phases to appear: ```julia model = SRK(["hexane","aniline","water","nitrogen"];mixing=MHV2Rule, activity=UNIFAC) z = ones(length(model))/length(model) (x,n,G) = tp_flash(model,1e5,298.15,z,MultiPhaseTPFlash(nacc=20)) ``` I'll try to add a fifth with a halo-alkane
Once electrolytes are done, Ill come back around to HELD... Did you manage to do the mass version for regular RR?
Also, for five phases, it manages to realise there should be five phases, but it doesn't converge: ```julia model = SRK(["hexane","aniline","1,1,2-trichloroethane","water","nitrogen"];mixing=MHV2Rule, activity=UNIFAC) z = ones(length(model))/length(model) (x,n,G) = tp_flash(model,1e5,298.15,z,MultiPhaseTPFlash()) x ```
@longemen3000 I've added the groups needed to reproduce the case I've posted. Ill try to mess around with the code. It's definitely recognising there should be five phases but it's...
I've actually been doing benchmarking for ePC-SAFT between the pcsaft and CoolProp implementations (for my own implementation in Clapeyron.jl). They don't agree to machine accuracy. The Clapeyron.jl implementation agrees to...
These are the exact benchmarks I ran, along with the conditions, parameters and outputs. I compared a_res, Z and the fugacity coefficients (I couldn't obtain them with CoolProp). The agreement...
Just wanted to give you both an update: I found out what is wrong with all our implementations of ePC-SAFT. Turns out, within the DH theory, the temperature-dependent hard-sphere diameter...
That is indeed the commit where I fixed it. I allowed the ion diameter to be a kwarg instead where, for ePC-SAFT specifically, we can swap in the temperature-dependent hard-sphere...
Did you manage to benchmark to our implementation? I know that we have almost machine precision accuracy with regular PC-SAFT. I’d imagine we’d get quite close with ePC-SAFT as well.
Here is a working example: ```julia using Clapeyron model = ePCSAFT(["water"], ["sodium", "chloride"]) V = 1/55757.07260200306 T = 298.15 z = [0.90, 0.05, 0.05] p = pressure(model, V, T, z)...