Hi there,
We are doing flash calculations for a CO2 stream. Current implementation is something like this:
def flash_activity(self):
self.validate_composition()
self.calc_vapour_pressure()
self.normalize()
self.K_values = [1e50, 0.005, 0.005]
self.calc_fugacicy_coefficient_neqsim_CPA()
self.iteration = 0
while 1:
K_old = self.K_values.copy()
bettaOld = self.betta
self.solve_Rachford_Rice()
bettaNew = self.betta
self.calc_phases()
for i in range(len(self.phases)):
self.phases[i].set_phase_flow_rate(self.flow_rate)
self.get_phase(1).set_component_fraction("CO2", 1e-50)
self.get_phase(1).normalize()
self.calc_fugacity_neqsim_CPA(self.phases[0].fractions)
self.calc_activity()
self.update_k_values_activity()
K_new = self.K_values.copy()
self.iteration += 1
self.error = 0
for i, component in enumerate(self.components):
self.error += abs(K_new[i] - K_old[i])
if self.error < self.tol:
break
self.phases[1].set_name()and we have some simple activity model calculations for each component, eg:
elif component == "H2SO4":
activity = np.exp(
(
self.ActivityK1[i] * ((self.temperature - 273.15) ** 2)
+ self.ActivityK2[i] * (self.temperature - 273.15)
+ self.ActivityK3[i]
)
* (self.get_phase(1).get_fraction_component("H2O")) ** 2
)full code here: https://github.com/equinor/SolubilityCCS/blob/a80f6c70d25c0848793eac2895ba6a2fd5fb508e/solubilityccs/fluid.py#L509
we imagine all of this should be possible to do in neqsim alone. Would be awesome if we could be able to achieve this with less of our duplicated code.
Hi there,
We are doing flash calculations for a CO2 stream. Current implementation is something like this:
and we have some simple activity model calculations for each component, eg:
full code here: https://github.com/equinor/SolubilityCCS/blob/a80f6c70d25c0848793eac2895ba6a2fd5fb508e/solubilityccs/fluid.py#L509
we imagine all of this should be possible to do in neqsim alone. Would be awesome if we could be able to achieve this with less of our duplicated code.