Fugacity functions update

Project.toml

@@ -1,14 +1,14 @@
 name = "CoolProp"
 uuid = "e084ae63-2819-5025-826e-f8e611a84251"
-version = "0.1.1"
+version = "0.2.0"
 
 [deps]
 CoolProp_jll = "3351c21f-4feb-5f29-afb9-f4fcb0e27549"
 Markdown = "d6f4376e-aef5-505a-96c1-9c027394607a"
 Unitful = "1986cc42-f94f-5a68-af5c-568840ba703d"
 
 [compat]
-CoolProp_jll = "6.5"
+CoolProp_jll = "6.6"
 julia = "1.3"
 Unitful="1"
 

src/CoolProp.jl

@@ -926,6 +926,63 @@ function AbstractState_update(handle::Clong, input_pair::AbstractString, value1:
     return nothing
 end
 
+#TODO: these functions will not work with CoolProp_jll 6.5. Needs new version released of current master from Sept 2023
+"""
+    AbstractState_get_fugacity(handle::Clong, i::Integer)
+
+Return the fugacity of species `i`
+
+# Arguments
+* `handle`: The integer handle for the state class stored in memory
+* `i`: The index of the species
+
+# Example
+```julia
+julia> handle = AbstractState_factory("HEOS", "Water&Ethanol");
+julia> pq_inputs = get_input_pair_index("PQ_INPUTS");
+julia> t = get_param_index("T");
+julia> AbstractState_set_fractions(handle, [0.4, 0.6]);
+julia> AbstractState_update(handle, pq_inputs, 101325, 0);
+julia> AbstractState_get_fugacity(handle, 0)
+30227.119385400914
+julia> AbstractState_free(handle);
+```
+"""
+function AbstractState_get_fugacity(handle::Clong, i::Integer)
+    buffer_length = length(message_buffer)
+    output = ccall( (:AbstractState_get_fugacity, libcoolprop), Cdouble, (Clong, Clong, Ref{Clong}, Ptr{UInt8}, Clong), handle, i, errcode, message_buffer::Array{UInt8, 1}, buffer_length)
+    raise(errcode, message_buffer)
+    return output
+end
+
+"""
+    AbstractState_get_fugacity_coefficient(handle::Clong, i::Real)
+
+Return the fugacity coefficient of species `i`
+
+# Arguments
+* `handle`: The integer handle for the state class stored in memory
+* `i`: The index of the species
+
+# Example
+```julia
+julia> handle = AbstractState_factory("HEOS", "Water&Ethanol");
+julia> pq_inputs = get_input_pair_index("PQ_INPUTS");
+julia> t = get_param_index("T");
+julia> AbstractState_set_fractions(handle, [0.4, 0.6]);
+julia> AbstractState_update(handle, pq_inputs, 101325, 0);
+julia> AbstractState_get_fugacity_coefficient(handle, 0)
+0.7457961851803392
+julia> AbstractState_free(handle);
+```
+"""
+function AbstractState_get_fugacity_coefficient(handle::Clong, i::Integer) #TODO: maybe type this as an integer?
+    buffer_length = length(message_buffer)
+    output = ccall( (:AbstractState_get_fugacity_coefficient, libcoolprop), Cdouble, (Clong, Clong, Ref{Clong}, Ptr{UInt8}, Clong), handle, i, errcode, message_buffer::Array{UInt8, 1}, buffer_length)
+    raise(errcode, message_buffer)
+    return output
+end
+
 """
     AbstractState_keyed_output(handle::Clong, param::Clong)
 
@@ -1435,7 +1492,7 @@ function AbstractState_all_critical_points(handle::Clong, length::Integer)
     return  AbstractState_all_critical_points(handle, length, T, p, rhomolar, stable)
 end
 
-for symorigin = [:PropsSI, :PhaseSI, :K2F, :F2K, :HAPropsSI, :AbstractState_factory, :AbstractState_free, :AbstractState_set_fractions, :AbstractState_get_mole_fractions, :AbstractState_get_mole_fractions_satState, :AbstractState_update, :AbstractState_keyed_output, :AbstractState_output, :AbstractState_specify_phase, :AbstractState_unspecify_phase, :AbstractState_update_and_common_out, :AbstractState_update_and_1_out, :AbstractState_update_and_5_out, :AbstractState_set_binary_interaction_double, :AbstractState_set_cubic_alpha_C, :AbstractState_set_fluid_parameter_double, :AbstractState_first_saturation_deriv, :AbstractState_first_partial_deriv, :AbstractState_build_phase_envelope, :AbstractState_build_spinodal, :AbstractState_all_critical_points, :AbstractState_get_phase_envelope_data, :AbstractState_get_spinodal_data]
+for symorigin = [:PropsSI, :PhaseSI, :K2F, :F2K, :HAPropsSI, :AbstractState_factory, :AbstractState_free, :AbstractState_set_fractions, :AbstractState_get_mole_fractions, :AbstractState_get_mole_fractions_satState, :AbstractState_update, :AbstractState_get_fugacity, :AbstractState_get_fugacity_coefficient, :AbstractState_keyed_output, :AbstractState_output, :AbstractState_specify_phase, :AbstractState_unspecify_phase, :AbstractState_update_and_common_out, :AbstractState_update_and_1_out, :AbstractState_update_and_5_out, :AbstractState_set_binary_interaction_double, :AbstractState_set_cubic_alpha_C, :AbstractState_set_fluid_parameter_double, :AbstractState_first_saturation_deriv, :AbstractState_first_partial_deriv, :AbstractState_build_phase_envelope, :AbstractState_build_spinodal, :AbstractState_all_critical_points, :AbstractState_get_phase_envelope_data, :AbstractState_get_spinodal_data]
     sym = Symbol(lowercase(string(symorigin)))
     @eval const $sym = $symorigin
     @eval export $sym, $symorigin

test/runtests.jl

@@ -17,8 +17,8 @@ const coolproptrivialparameters = ["ACENTRIC", "DIPOLE_MOMENT", "FH", "FRACTION_
 "TMIN", "TTRIPLE", "T_FREEZE", "T_REDUCING"];
 const trivalwithnumval = ["FH","GWP100","PMIN","TMIN","P_REDUCING","PCRIT","GWP20","GAS_CONSTANT","PMAX","RHOCRIT","TCRIT","T_REDUCING","ACENTRIC","GWP500","RHOMOLAR_REDUCING","TMAX","TTRIPLE","PH","M","PTRIPLE","RHOMOLAR_CRITICAL","ODP","HH"];
 const fails_any_props_trivals = ["DIPOLE_MOMENT","FRACTION_MAX","FRACTION_MIN","RHOMASS_REDUCING","T_FREEZE"];
-const fails_critical_point = ["R134a","R116","R236EA","R1234ze(E)","SulfurDioxide","n-Pentane","R11","CycloPropane","Cyclopentane","MDM","n-Nonane","Oxygen","DimethylCarbonate","R41","R227EA","R245fa","trans-2-Butene","MM","Air","R236FA","SES36","Fluorine","n-Undecane","Isohexane","IsoButane","R1234ze(Z)","HydrogenChloride"];
-const fails_tcrit_eq_treducing = ["R134a","R116","R1234ze(E)","n-Pentane","R11","n-Nonane","MDM","Oxygen","R41","MM","Fluorine","n-Undecane","Isohexane","Helium","IsoButane","HydrogenChloride"];
+const fails_critical_point = ["DiethylEther","R134a","R116","SulfurDioxide","n-Pentane","R11","CycloPropane","MDM","n-Nonane","Oxygen","DimethylCarbonate","R41","R227EA","R245fa","trans-2-Butene","n-Propane","MM","Air","R236FA","Neon","SES36","Fluorine","n-Undecane","Isohexane","MD4M","IsoButane","D5","Ammonia","R1234ze(Z)","HydrogenChloride","R236EA","R1234ze(E)","Cyclopentane"];
+const fails_tcrit_eq_treducing = ["R134a","R116","n-Pentane","R11","n-Nonane","MDM","Oxygen","R41","MM","Fluorine","n-Undecane","Isohexane","Helium","IsoButane","HydrogenChloride","R1234ze(E)","Ammonia"];
 
 function compare_sets(fails,reference)
     failsset = Set(fails)
@@ -58,7 +58,8 @@ include("testLow.jl");
 @test K2F(F2K(100)) ≈ 100
 #HAPropsSI
 dt=1e-3;
-@test (HAPropsSI("H", "T", 300+dt, "P", 100000, "Y", 1e-20) - HAPropsSI("H", "T", 300-dt, "P", 100000, "Y", 1e-20))/2/dt ≈ HAPropsSI("C", "T", 300, "P", 100000, "Y", 1e-20) atol =2e-9
+const Y0 = 1e-16
+@test (HAPropsSI("H", "T", 300+dt, "P", 100000, "Y", Y0) - HAPropsSI("H", "T", 300-dt, "P", 100000, "Y", Y0))/2/dt ≈ HAPropsSI("C", "T", 300, "P", 100000, "Y", Y0) atol =2e-9
 #PropsSI
 h0 = -15870000.0; # J/kg
 s0 = 3887.0; #J/kg

test/testLow.jl

@@ -74,6 +74,9 @@ gas_frac = [0.0, 0.0]
 AbstractState_get_mole_fractions_satState(handle, "gas", gas_frac)
 liq_frac = [0.0, 0.0]
 AbstractState_get_mole_fractions_satState(handle, "liquid", liq_frac)
+i = 0 #index of water in mixture
+AbstractState_get_fugacity(handle, i)
+AbstractState_get_fugacity_coefficient(handle, i)
 if (haskey(ENV, "includelocalwrapper") && ENV["includelocalwrapper"]=="on")
     T, p, rhomolar, hmolar, smolar = AbstractState_update_and_common_out(handle, pq_inputs, [101325.0], [0.0], 1)
     temp_, p, rhomolar, hmolar, smolar = AbstractState_update_and_common_out(handle, "PQ_INPUTS", [101325.0], [0.0], 1)