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burbuja.py
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import numpy as np
import math
import db
def temperaturaBurbuja(p, zfDicc, tf):
Td_obtenida = 0.0
yis_calculadas = dict()
yis_calculadas_list = list()
kib_calculadas = dict()
result = dict()
for element in zfDicc:
# Fijar P y composición
xi = zfDicc[element]['Xi']
# Estimar Td
td = tf
# Obtener valores de BD para el elemento
db_values = db.getElementValues(zfDicc[element]['db_row'])
# Calcular Ki como primera aprox
Ki = calculate_Ki(p, td, db_values)
# Calcular yi_supuesta
yi_supuesta = calculate_yi_supuesta(Ki, xi)
# Obtner Kib
Kib = calculate_Kib(db_values, zfDicc, td, p)
while True:
# Calcular yi_calculada
yi_calculada=Kib*xi
#print('yi calculada = ', Kib,'*',xi, '=', yi_calculada)
normalizado = abs(yi_supuesta - yi_calculada)
#print('abs(yi_supuesta - yi_calculada) => ', yi_supuesta, '-', yi_calculada, '=', normalizado)
if(normalizado < 0.001):
yis_calculadas[element] = yi_calculada
kib_calculadas[element] = Kib
yis_calculadas_list.append(yi_calculada)
#print('->Yis calculadas totales:', len(yis_calculadas), 'Cantidad de componentes:', len(zfDicc))
if len(yis_calculadas_list) == len(zfDicc):
f = 1 - sum(yis_calculadas_list)
if f >= -0.01 and f <= 0.01:
print('<------------------------------------------------>')
Td_obtenida = td
result['status'] = True
result['Td'] = Td_obtenida
result['yis_calculadas'] = yis_calculadas
result['kib_calculadas'] = kib_calculadas
return result
else:
delta_td = 0
if f < 0:
print('delta_td -0.01')
delta_td = -0.01
else:
print('delta_td +0.01')
delta_td = 0.01
td = td + delta_td
print('Td=', td)
result['status'] = False
result['Td'] = td
return result
else:
break
else:
yi_supuesta = yi_calculada
Kib = calculate_Kib(db_values, zfDicc, td, p)
def calculate_Ki(p, td, db_values):
A = db_values['A']
B = db_values['B']
C = db_values['C']
pi_sat = math.exp(A - (B / (td + C)))
Ki = pi_sat / p
return Ki
def calculate_yi_supuesta(ki, xi):
yi_supuesta = ki * xi
#print('yi_supuesta = Ki·xi')
#print('yi_supuesta = ', ki,'*',xi, '=', yi_supuesta)
return yi_supuesta
def calculate_Kib(db_values, zfDicc, tf, p):
Tc = db_values['Tc']
Pc = db_values['Pc']
Ai = calculate_Ai(Pc, tf, Tc)
Ay = calculate_Ay(zfDicc, tf, p)
Ax = calculate_Ax(zfDicc, tf)
Bi = calculate_Bi(Pc, tf, Tc)
By = calculate_By(zfDicc, tf, p)
Bx = calculate_Bx(zfDicc, tf)
A = math.sqrt(Ax * Ay)
B = math.sqrt(Bx * By)
Z = getRoots(A, B, p)
Zl = Z['Zl']
Zv = Z['Zv']
FIv = coeficiente_de_fugacidad(Zv, p, A, B, Ai, Bi)
FIl = coeficiente_de_fugacidad(Zl, p, A, B, Ai, Bi)
#print('FIv:', FIv)
#print('FIl:', FIl)
return FIl/FIv
def calculate_Ai(Pc, tf, Tc):
return (0.4278/(Pc*((tf/Tc)**2.5)))**(0.5)
def calculate_Bi(Pc, tf, Tc):
return 0.0867/(Pc*(tf/Tc))
def calculate_Bx(zfDicc, tf):
sumatoria = 0.0
for element in zfDicc:
db_values = db.getElementValues(zfDicc[element]['db_row'])
Tc = db_values['Tc']
Pc = db_values['Pc']
Bi = calculate_Bi(Pc, tf, Tc)
xi = zfDicc[element]['Xi']
sumatoria += Bi * xi
return sumatoria
def calculate_Ax(zfDicc, tf):
sumatoria = 0.0
for element in zfDicc:
db_values = db.getElementValues(zfDicc[element]['db_row'])
Tc = db_values['Tc']
Pc = db_values['Pc']
Ai = calculate_Ai(Pc, tf, Tc)
xi = zfDicc[element]['Xi']
sumatoria += Ai * xi
return sumatoria
def calculate_Ay(zfDicc, tf, p):
sumatoria = 0.0
for element in zfDicc:
db_values = db.getElementValues(zfDicc[element]['db_row'])
Tc = db_values['Tc']
Pc = db_values['Pc']
Ai = calculate_Ai(Pc, tf, Tc)
xi = zfDicc[element]['Xi']
ki = calculate_Ki(p, tf, db_values)
yi_supuesta = calculate_yi_supuesta(ki, xi)
sumatoria += Ai * yi_supuesta
return sumatoria
def calculate_By(zfDicc, tf, p):
sumatoria = 0.0
for element in zfDicc:
db_values = db.getElementValues(zfDicc[element]['db_row'])
Tc = db_values['Tc']
Pc = db_values['Pc']
Bi = calculate_Bi(Pc, tf, Tc)
xi = zfDicc[element]['Xi']
ki = calculate_Ki(p, tf, db_values)
yi_supuesta = calculate_yi_supuesta(ki, xi)
sumatoria += Bi * yi_supuesta
return sumatoria
def getRoots(A, B, p):
coef_c = (B * p) * ( (A**2/B) - (B*p) - 1)
coef_d = -1 * ((A**2/B) * ((B*p)**2))
roots = np.roots([1, -1, coef_c, coef_d])
# for i in range(0, len(roots)):
# roots[i] = float(roots[i])
roots.sort()
#print('Raices:', roots)
Z = dict()
Z['Zl'] = roots[1]
Z['Zv'] = roots[2]
#print('Zv:',Z['Zv'])
#print('Zl:',Z['Zl'])
return Z
def coeficiente_de_fugacidad(Z, p, A, B, Ai, Bi):
first_eq = (Z - 1) * (Bi / B)
second_eq = math.log(Z - (B * p))
subeq3_1 = (A**2 / B) * ((2*Ai / A) - (Bi / B))
subeq3_2 = math.log(1 + ((B * p) / Z))
third_eq = subeq3_1 * subeq3_2
final_eq = first_eq - second_eq - third_eq
return math.exp(final_eq)