PH_property bugs

[Sush1090]

Hello,
I have two points:

1. The following will fail in the new release,

julia> model = cPR(["ethane","methane"],idealmodel = ReidIdeal);

julia> p = 101325; T = 350;z = [1.2,1.2]; h = enthalpy(model,p,T,z)
5709.317234526068

julia> import Clapeyron.PH

julia> PH.entropy(model,p,h,z)

Error:

ERROR: UndefVarError: `T` not defined in local scope
Suggestion: check for an assignment to a local variable that shadows a global of the same name.

fix:
In PH_property(...) compute Tproperty outside phase if condition

T,calc_phase = _Tproperty(model,p,h,z,T0 = T0,phase = phase,threaded = threaded)

2. Tproperty and Pproperty : I think if the input pressure or temperature given to the solver is above critical value the root finder can be initialized to critical value. I had mentioned it for Tproperty here but it can also be extended to Pproperty.

Thank you

[longemen3000]

Uff, big bug, let me fix it and release a new version, if you find anything else let me know

[longemen3000]

i saw the offending code, and the correct answer seems to remove the

        if np > 1
            return f(model,res)
        else
            return f(model,p,T,z)
        end

if condition and replace it with just f(model,res). the result of ph_flash has already an implicit calculation of Tproperty already
on 2. , we are already using the critical point as an initial point if the input is supecritical (at least in single phase):

Clapeyron.jl/src/methods/property_solvers/Pproperty.jl

Lines 191 to 194 in 1ff747f

	if T >= Tc
	verbose && @info "temperature is above critical temperature"
	return __Pproperty(model,T,prop,z,property,rootsolver,phase,abstol,reltol,threaded,Pc)
	end

Clapeyron.jl/src/methods/property_solvers/Tproperty.jl

Lines 213 to 216 in 1ff747f

	if p >= Pc
	verbose && @info "pressure is above critical pressure"
	return __Tproperty(model,p,prop,z,property,rootsolver,phase,abstol,reltol,threaded,Tc)
	end

[Sush1090]

Hello,
There is a similar case for pure cases:

model = cPR(["ethane"],idealmodel = ReidIdeal);
p = 101325;h = 100; z = [1]; T = Clapeyron.PH.temperature(model,p,h,z)

error:

ERROR: UndefVarError: `T` not defined in local scope
Suggestion: check for an assignment to a local variable that shadows a global of the same name.
Stacktrace:
 [1] px_flash_pure(model::PR{ReidIdeal, TwuAlpha, NoTranslation, vdW1fRule}, p::Int64, x::Int64, z::Vector{Int64}, spec::typeof(enthalpy), T0::Nothing) 

[longemen3000]

good catch, just fixed. If everything goes alright, I'm releasing after tests pass

[Sush1090]

There is also one in ps_flash
The following will not work:

model = cPR(["ethane"],idealmodel = ReidIdeal);
s = 100;p=101325;z = [1.0];
Clapeyron.PS.enthalpy(model,p,s,z)

ERROR: UndefVarError: `n` not defined in `Clapeyron`
Suggestion: check for spelling errors or missing imports.
Stacktrace:
 [1] ps_flash(model::PR{ReidIdeal, TwuAlpha, NoTranslation, vdW1fRule}, p::Int64, s::Int64, z::Vector{Float64}, method::GeneralizedXYFlash{Nothing, Nothing})

[Sush1090]

There is another one here:

model = cPR(["ethane"],idealmodel = ReidIdeal)
 p = 101325; z = [5.0]; 
 T = saturation_temperature(model,p)[1]
 h_liq = enthalpy(model,p,T-0.1,z);h_gas = enthalpy(model,p,T+0.1,z)
 h = (h_liq + h_gas)/2 
 PH.temperature(model,p,h,z)

error:

ERROR: LoadError: UndefVarError: `build_flash_result_pure` not defined in `Clapeyron`
Suggestion: check for spelling errors or missing imports.

[Sush1090]

Hello,
This is a different type of issue:

1. The computation of pressure does not match

using Clapeyron 
using Clapeyron: PH
model = cPR(["ethane"],idealmodel = ReidIdeal)
 p = 101325; z = [5.0]; 
 T = saturation_temperature(model,p)[1]
 h_liq = enthalpy(model,p,T-0.1,z);h_gas = enthalpy(model,p,T+0.1,z)
 h = (h_liq + h_gas)/2 
 V = PH.volume(model,p,h,z)
 VT_p = pressure(model,V,T,z)
 @show p ≈ VT_p

2. This is give now LoadError I am using the latest branch. I think this was working before

using Clapeyron 
using Clapeyron: PH
model = cPR(["methane"],idealmodel = ReidIdeal)
p = 101325; z = [5.0]; 
T = 210.0 
h = enthalpy(model,p,T,z) 
V = PH.volume(model,p,h,z)

ERROR: MethodError: no method matching one(::StaticArraysCore.SVector{1, Float64})
The function `one` exists, but no method is defined for this combination of argument types.

The one that was fixed fails now this one

[longemen3000]

on 1. that is because the result is in a two phase state. the volume in a two phase state is the sum of the volumes in each phase. i cannot reproduce 2. (and all the reported problems here run in CI).

btw i just added a flash function inside the PH, PS,PT and VT modules, maybe this is more useful for those cases

[Sush1090]

the second one works now. I don't know what was wrong before