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PropriedadesResiduais.py
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# -*- coding: utf-8 -*-
"""
Created on Mon Nov 12 22:12:00 2018
@author: Willian Belincanta Ribeiro
"""
import EquacaoDeEstado,PressaodeSaturacao
import numpy
from math import sqrt,log
R = 8.314
cpideal = [
['metano',1.702,9.081,-2.164,0],
['etano',1.131,19.225,-5.561,0],
['propano',1.213,28.785,-8.824,0],
['n-butano',1.935,36.915,-11.402,0],
['iso-butano',1.677,37.853,-11.945,0],
['n-pentano',2.464,45.351,-14.111,0],
['n-hexano',3.025,53.722,-16.791,0],
['n-heptano',3.570,62.127,-19.486,0],
['n-octano',4.108,70.567,-22.208,0],
['etileno',1.424,14.394,-4.392,0],
['propileno',1.637,22.706,-6.915,0],
['1-buteno',1.967,31.630,-9.873,0],
['1-penteno',2.691,39.753,-12.447,0],
['1-hexeno',3.220,48.189,-15.157,0],
['1-hepteno',3.768,56.588,-17.847,0],
['1-octeno',4.324,64.960,-20.521,0],
['acetaldeído',1.693,17.978,-6.158,0],
['acetileno',6.132,1.952,0,-1.299],
['benzeno',-0.206,39.064,-13.301,0],
['1,3-butadieno',2.734,26.786,-8.882,0],
['ciclo-hexano',-3.876,63.249,-20.928,0],
['etanol',3.518,20.001,-6.002,0],
['etilbenzeno',1.124,55.380,-18.476,0],
['óxido de etileno',-0.385,22.463,-9.296,0],
['formaldeído',2.264,7.022,-1.877,0],
['metanol',2.211,12.216,-3.450,0],
['estireno',2.050,50.192,-16.662,0],
['tolueno',0.290,47.052,-15.716,0],
['ar',3.355,0.575,0,-0.016],
['amônia',3.578,3.020,0,-0.186],
['bromo',4.493,0.056,0,-0.154],
['monóxido de carbono',3.376,0.557,0,-0.031],
['dióxido de carbono',5.457,1.045,0,-1.157],
['dissulfeto de carbono',6.311,0.805,0,-0.906],
['cloro',4.442,0.089,0,-0.344],
['hidrogênio',3.249,0.422,0,0.083],
['dissulfeto de hidrogênio',3.931,1.490,0,-0.232],
['cloreto de hidrogênio',3.156,0.623,0,0.151],
['cianeto de hidrogênio',4.736,1.359,0,-0.725],
['nitrogênio',3.280,0.593,0,0.040],
['óxido nitroso',5.328,1.214,0,-0.928],
['óxido nítrico',3.387,0.629,0,0.014],
['dióxido de nitrogênio',4.982,1.195,0,-0.792],
['tetraóxido de dinitrogênio',11.660,2.257,0,-2.787],
['oxigênio',3.639,0.506,0,-0.227],
['dióxido de enxofre',5.699,0.801,0,-1.015],
['trióxido de enxofre',8.060,1.056,0,-2.028],
['água',3.470,1.450,0,0.121]]
class PropriedadesResiduais:
def setComposto(self,composto):
self.__composto = composto
def getComposto(self):
return self.__composto
#Pressão em Pascal
def getPressaoInicial(self):
return self.__pressaoinicial
def setPressaoInicial(self,pressaoinicial):
self.__pressaoinicial = pressaoinicial
def getPressaoFinal(self):
return self.__pressaofinal
def setPressaoFinal(self,pressaofinal):
self.__pressaofinal = pressaofinal
#Temperatura em Kelvin
def getTemperaturaInicial(self):
return self.__temperaturainicial
def setTemperaturaInicial(self,temperaturainicial):
self.__temperaturainicial = temperaturainicial
def getTemperaturaFinal(self):
return self.__temperaturafinal
def setTemperaturaFinal(self,temperaturafinal):
self.__temperaturafinal = temperaturafinal
def setEquipamento(self,equipamento):
self.__equipamento = equipamento
def getEquipamento(self):
return self.__equipamento
def calcularResidual(self):
n = EquacaoDeEstado.SRK()
u = PressaodeSaturacao.LeeKeslerSat()
n.buscarPuras(self.getComposto())
u.buscarLee(self.getComposto())
#calcula propriedade residual na entrada
n.setTemperatura(self.getTemperaturaInicial())
u.setTemperatura(self.getTemperaturaInicial())
n.setVolumeMolar(1)
u.pressaoSat()
n.calcularPressao()
Psat = u.getPressao()
Alinha = (n.getA()*self.getPressaoInicial())/(R*R*self.getTemperaturaInicial()*self.getTemperaturaInicial())
Blinha = (n.getB()*self.getPressaoInicial())/(R*self.getTemperaturaInicial())
CoefA = 1
CoefB = -1
CoefC = Alinha-Blinha-(Blinha**2)
CoefD = -(Alinha*Blinha)
eq = [CoefA,CoefB,CoefC,CoefD]
raiz = numpy.roots(eq)
if (raiz.imag[0]!=0) or (raiz.imag[1]!=0) or (raiz.imag[2]!=0):
for p,e in enumerate(raiz.imag):
if e == 0:
Zinicial = raiz.real[p]
elif self.getPressaoInicial()<Psat:
if raiz.real[0]>raiz.real[1] and raiz.real[0]>raiz.real[2]:
Zinicial = raiz.real[0]
elif raiz.real[1]>raiz.real[0] and raiz.real[1]>raiz.real[2]:
Zinicial = raiz.real[1]
elif raiz.real[2]>raiz.real[0] and raiz.real[2]>raiz.real[1]:
Zinicial = raiz.real[2]
else:
if raiz.real[0]<raiz.real[1] and raiz.real[0]<raiz.real[2]:
Zinicial = raiz.real[0]
elif raiz.real[1]<raiz.real[0] and raiz.real[1]<raiz.real[2]:
Zinicial = raiz.real[1]
elif raiz.real[2]<raiz.real[0] and raiz.real[2]<raiz.real[1]:
Zinicial = raiz.real[2]
Tr = self.getTemperaturaInicial()/n.getTemperaturaCritica()
da = ((-0.42748*R*R*n.getTemperaturaCritica())/n.getPressaoCritica())*((1+(n.getFatorAcentrico()*(1-sqrt(Tr))*n.getFatorAcentrico()))/sqrt(Tr))
HrInicial = (R*self.getTemperaturaInicial()*(Zinicial-1))+((((self.getTemperaturaInicial()*da)-n.getA())/n.getB())*log((Zinicial+Blinha)/Zinicial))
SrInicial = (R*log(Zinicial-Blinha))+((da/n.getB())*log((Zinicial+Blinha)/Zinicial))
#calcula propriedade residual na saída
n.setTemperatura(self.getTemperaturaFinal())
u.setTemperatura(self.getTemperaturaFinal())
n.setVolumeMolar(1)
u.pressaoSat()
n.calcularPressao()
Psat = u.getPressao()
Alinha = (n.getA()*self.getPressaoFinal())/(R*R*self.getTemperaturaFinal()*self.getTemperaturaFinal())
Blinha = (n.getB()*self.getPressaoFinal())/(R*self.getTemperaturaFinal())
CoefA = 1
CoefB = -1
CoefC = Alinha-Blinha-(Blinha**2)
CoefD = -(Alinha*Blinha)
eq = [CoefA,CoefB,CoefC,CoefD]
raiz = numpy.roots(eq)
if (raiz.imag[0]!=0) or (raiz.imag[1]!=0) or (raiz.imag[2]!=0):
for p,e in enumerate(raiz.imag):
if e == 0:
Zfinal = raiz.real[p]
elif self.getPressaoInicial()<Psat:
if raiz.real[0]>raiz.real[1] and raiz.real[0]>raiz.real[2]:
Zfinal = raiz.real[0]
elif raiz.real[1]>raiz.real[0] and raiz.real[1]>raiz.real[2]:
Zfinal = raiz.real[1]
elif raiz.real[2]>raiz.real[0] and raiz.real[2]>raiz.real[1]:
Zfinal = raiz.real[2]
else:
if raiz.real[0]<raiz.real[1] and raiz.real[0]<raiz.real[2]:
Zfinal = raiz.real[0]
elif raiz.real[1]<raiz.real[0] and raiz.real[1]<raiz.real[2]:
Zfinal = raiz.real[1]
elif raiz.real[2]<raiz.real[0] and raiz.real[2]<raiz.real[1]:
Zfinal = raiz.real[2]
Tr = self.getTemperaturaFinal()/n.getTemperaturaCritica()
da = (-(0.42748*R*R*n.getTemperaturaCritica())/n.getPressaoCritica())*((1+(n.getFatorAcentrico()*(1-sqrt(Tr))*n.getFatorAcentrico()))/sqrt(Tr))
HrFinal = (R*self.getTemperaturaFinal()*(Zfinal-1))+((((self.getTemperaturaFinal()*da)-n.getA())/n.getB())*log((Zfinal+Blinha)/Zfinal))
SrFinal = (R*log(Zfinal-Blinha))+((da/n.getB())*log((Zfinal+Blinha)/Zfinal))
#cálculo propriedade comportamento ideal
for e in cpideal:
if self.getComposto()==e[0]:
A = e[1]
B = e[2]*(1e-3)
C = e[3]*(1e-6)
D = e[4]*(1e5)
HIdeal = R*((A*(self.getTemperaturaFinal()-self.getTemperaturaInicial()))+((B*((self.getTemperaturaFinal()**2)-(self.getTemperaturaInicial()**2)))/2)+((C*((self.getTemperaturaFinal()**3)-(self.getTemperaturaInicial()**3)))/3)-(D*((self.getTemperaturaFinal()**(-1))-(self.getTemperaturaInicial()**(-1)))))
varentalpia = HrInicial+HIdeal+HrFinal
SIdeal = ((R*((A*(self.getTemperaturaFinal()-self.getTemperaturaInicial()))+((B*((self.getTemperaturaFinal()**2)-(self.getTemperaturaInicial()**2)))/2)+((C*((self.getTemperaturaFinal()**3)-(self.getTemperaturaInicial()**3)))/3)-(D*((self.getTemperaturaFinal()**(-1))-(self.getTemperaturaInicial()**(-1))))))/(self.getTemperaturaFinal()-self.getTemperaturaInicial()))-(R*log(self.getPressaoFinal()/self.getPressaoInicial()))
varentropia = SrInicial+SIdeal+SrFinal
print(f'W = {varentalpia:.3f} J/mol')
if (self.getEquipamento()==1 and varentalpia<0) or (self.getEquipamento()==2 and varentalpia>0):
print('\033[4;31mViola a 1ª lei da termodinâmica')
else:
print(f'S = {varentropia:.3f} J/mol.K')
if varentropia<0:
print('Processo impossível')
elif varentropia==0:
print('Processo possível reversível ')
else:
print('Processo possível irreversível')