def eqfunc(self, x):
"""Calculate Phase Equilibrium"""
# setting verbosity (True or False - default), if set to yes, in particular, when getters are called the returned values are displayed in a comprehensive way
oc.setVerbosity(self.setverb)
# tdb filepath
tdbFile=self.pathname+self.db
#print(tdbFile)
# reading tdb
oc.readtdb(tdbFile,self.comps)
oc.setPhasesStatus((self.phasename[0],self.phasename[1]),phStat.Entered)
#Equilibrium
variable = oc.setElementMolarAmounts(self.x)+ [oc.setTemperature(self.T), oc.setPressure(self.P)]
xs = [v.X(each) for each in self.comps if each != "VA"]
xxs = [xs[i] for i in range(1, len(xs))]
xxxs = xxs + [v.T, v.P]
var = {xxxs[i]: variable[i] for i in range(len(variable))}
eq_result = oc.calculateEquilibrium(self.db, self.comps, self.phasename, var)
return eq_result
def readDatabase(self, pathname, db, comps):
oc.readtdb(pathname + db, comps)
from pyOC import PhaseStatus as phStat
from pyOC import GridMinimizerStatus as gmStat
import math
######
# An example of Interfacil energy calculation
######
# oc setup
## setting verbosity (True or False - default), if set to yes, in particular, when getters are called the returned values are displayed in a comprehensive way
oc.setVerbosity(False)
## tdb filepath
tdbFile = os.environ.get('OCDATA') + '/feouzr.tdb'
## reading tdb
elems = ('O', 'U', 'ZR')
oc.readtdb(tdbFile, elems)
## suspend all phases except the liquid one
oc.setPhasesStatus(('*', ), phStat.Suspended)
oc.setPhasesStatus(('LIQUID', ), phStat.Entered)
## set pressure
oc.setPressure(1E5)
# mass density laws (from Barrachin2004)
coriumMassDensityLaws = {
'U1':
lambda T: 17270.0 - 1.358 * (T - 1408),
'ZR1':
lambda T: 6844.51 - 0.609898 * T + 2.05008E-4 * T**2 - 4.47829E-8 * T**3 +
3.26469E-12 * T**4,
'O2U1':
lambda T: 8860.0 - 9.285E-1 * (T - 3120),
def readDatabase(self):
oc.readtdb(self.db, self.comps)
def initOC(cls, db, comps):
cls.__db = db
cls.__comps = comps
# read database
oc.readtdb(cls.__db, tuple([comp for comp in cls.__comps if comp != 'VA']))