def press_vs_rho():
components = pure(['ETHANE', 'N-HEPTANE'])
prov = PengRobinson(components)
n = np.array([0.5, 0.5])
press_range = np.arange(0.01, 10, 0.01)
temp_range = [420, 500]
for temp in temp_range:
rho_vapor, rho_liquid = [], []
norm_hres_vapor, norm_hres_liquid = [], []
log_phi_vapor_C2, log_phi_liquid_C2 = [], []
log_phi_vapor_C7, log_phi_liquid_C7 = [], []
for press in press_range:
ph_vap = prov.phase(temp, press*1e6, n, 'vap')
ph_liq = prov.phase(temp, press*1e6, n, 'liq')
rho_vapor.append(ph_vap.dens_mole)
rho_liquid.append(ph_liq.dens_mole)
norm_hres_vapor.append(-ph_vap.res_enthalpy_mole/(GAS_CONSTANT*temp))
norm_hres_liquid.append(-ph_liq.res_enthalpy_mole/(GAS_CONSTANT*temp))
log_phi_vapor_C2.append(ph_vap.log_phi[0])
log_phi_vapor_C7.append(ph_vap.log_phi[1])
log_phi_liquid_C2.append(ph_liq.log_phi[0])
log_phi_liquid_C7.append(ph_liq.log_phi[1])
plt.plot(rho_vapor, press_range)
plt.plot(rho_liquid, press_range)
plt.legend(['rho_vapor', 'rho_liquid'], loc='upper right')
plt.title('Equimolar ethane-n_heptane mixture @ '+str(temp)+' K')
plt.xlabel('Density (kg/m3)')
plt.ylabel('Press (MPa)')
plt.show()
plt.close()
plt.plot(press_range, norm_hres_vapor)
plt.plot(press_range, norm_hres_liquid)
plt.legend(['norm_hres_vapor', 'norm_hres_liquid'], loc='upper right')
plt.title('Equimolar ethane-n_heptane mixture @ '+str(temp)+' K')
plt.xlabel('Press (MPa)')
plt.ylabel('-DH_res/RT')
plt.show()
plt.close()
plt.plot(press_range, log_phi_vapor_C2)
plt.plot(press_range, log_phi_vapor_C7)
plt.plot(press_range, log_phi_liquid_C2)
plt.plot(press_range, log_phi_liquid_C7)
plt.legend(['log_phi_vapor_C2', 'log_phi_vapor_C7', 'log_phi_liquid_C2', 'log_phi_liquid_C7'], loc='upper right')
plt.title('Equimolar ethane-n_heptane mixture @ ' + str(temp) + ' K')
plt.xlabel('Press (MPa)')
plt.ylabel('log_phi')
plt.show()
plt.close()
def test_3comp_vle():
all_press = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 0]
all_x1 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 1]
all_x2 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 2]
all_x3 = 1 - (all_x1 + all_x2)
all_y1 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 3]
all_y2 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 4]
all_y3 = 1 - (all_y1 + all_y2)
all_gamma1 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 5]
all_gamma2 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 6]
all_gamma3 = MEOH_ETOH_H2O_DATA_AT_328_15_K[:, 7]
temp = 328.15
c1, c2, c3 = pure(['methanol', 'ethanol', 'water'])
# u = wilson.generate_ip([c1.casn, c2.casn, c3.casn])
ip_g, ip_alpha = nrtl.generate_ip([c1.casn, c2.casn, c3.casn])
vap_press = np.array(
[c1.vap_press(temp),
c2.vap_press(temp),
c3.vap_press(temp)])
vol = np.array(
[c1.liq_vol_mole(temp),
c2.liq_vol_mole(temp),
c3.liq_vol_mole(temp)])
results = []
refer = []
for i in range(len(all_x1)):
comp = np.array([all_x1[i], all_x2[i], all_x3[i]])
# log_gamma = wilson_model_log_gamma(temp, vol, comp, u)
log_gamma = nrtl_model_log_gamma(temp, vol, comp, ip_g, ip_alpha)
gamma = np.exp(log_gamma)
press_partial = comp * gamma * vap_press
press_system = np.sum(press_partial)
calc_y = press_partial / press_system
results.append([
press_system * 1e-3,
np.log(gamma[0]),
np.log(gamma[1]),
np.log(gamma[2])
])
refer.append([
all_press[i],
np.log(all_gamma1[i]),
np.log(all_gamma2[i]),
np.log(all_gamma3[i])
])
# break
results = np.array(results)
refer = np.array(refer)
plt.plot(refer[:, 0], results[:, 0], 'or')
plt.plot(refer[:, 0], refer[:, 0], '-g')
plt.show()
def test_2comp_vle():
c1, c2 = pure(['ethanol', 'water'])
# u = wilson.generate_ip([c1.casn, c2.casn])
ip_g, ip_alpha = nrtl.generate_ip([c1.casn, c2.casn])
for temp in [323.15, 328.15, 333.15]:
x_comp = []
y_comp = []
press_total = []
results = []
for start_x in np.linspace(0, 1, num=50):
x_comp.append([start_x, 1 - start_x])
vap_press = np.array([c1.vap_press(temp), c2.vap_press(temp)])
vol = np.array([c1.liq_vol_mole(temp), c2.liq_vol_mole(temp)])
comp = np.array([start_x, 1 - start_x])
# log_gamma = wilson_model_log_gamma(temp, vol, comp, u)
log_gamma = nrtl_model_log_gamma(temp, vol, comp, ip_g, ip_alpha)
press_partial = comp * np.exp(log_gamma) * vap_press
press_system = np.sum(press_partial)
press_total.append(press_system)
y_comp.append([
press_partial[0] / press_system,
press_partial[1] / press_system
])
results.append(
(start_x, 1 - start_x, press_partial[0] / press_system,
press_partial[1] / press_system, press_system, vap_press[0],
vap_press[1]))
results = np.array(results)
x1 = results[:, 0]
x2 = results[:, 1]
y1 = results[:, 2]
y2 = results[:, 3]
press = results[:, 4]
plt.plot(x1, press / 1e3)
plt.plot(y1, press / 1e3)
plt.plot(ETOH_H2O_DATA_AT_333_15_K[:, 1], ETOH_H2O_DATA_AT_333_15_K[:, 0],
'or')
plt.plot(ETOH_H2O_DATA_AT_333_15_K[:, 2], ETOH_H2O_DATA_AT_333_15_K[:, 0],
'og')
plt.plot(ETOH_H2O_DATA_AT_328_15_K[:, 1], ETOH_H2O_DATA_AT_328_15_K[:, 0],
'or')
plt.plot(ETOH_H2O_DATA_AT_328_15_K[:, 2], ETOH_H2O_DATA_AT_328_15_K[:, 0],
'og')
plt.plot(ETOH_H2O_DATA_AT_323_15_K[:, 1], ETOH_H2O_DATA_AT_323_15_K[:, 0],
'or')
plt.plot(ETOH_H2O_DATA_AT_323_15_K[:, 2], ETOH_H2O_DATA_AT_323_15_K[:, 0],
'og')
plt.show()
def test_flash_prop_vap_frac():
components = pure(['ETHANE', 'N-BUTANE', 'N-HEPTANE'])
prov = PengRobinson(components)
temp, press = 400, 101325 * 10
feed_comp = np.array([0.2, 0.3, 0.5])
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('press:', press, 'temp:', temp, 'V/F:', results.vap_frac_mole)
results = flash_prop_vap_frac_2phase(prov, 'enthalpy_mole', results.enthalpy_mole, 0, results.vap_frac_mole, feed_comp)
print('press:', results.press, 'temp:', results.temp, 'V/F:', results.vap_frac_mole)
def test_flash_press_vap_frac():
components = pure(['ETHANE', 'N-BUTANE', 'N-HEPTANE'])
prov = PengRobinson(components)
temp, press = 300, 101325 * 12
feed_comp = np.array([0.2, 0.3, 0.5])
for vf in np.arange(0, 1.01, 0.01):
r = flash_press_vap_frac_2phase(prov, press, vf, feed_comp)
print('temp:', r.temp, 'press:', r.press, 'vap_frac', r.vap_frac_mole)
components = pure(['NITROGEN', 'CARBON DIOXIDE', 'HYDROGEN SULFIDE',
'METHANE', 'ETHANE', 'PROPANE', 'N-BUTANE', 'ISOBUTANE',
'N-PENTANE', 'ISOPENTANE', 'N-HEXANE', 'N-HEPTANE',
'N-OCTANE', 'N-NONANE', 'N-DECANE',
'N-UNDECANE'])
prov = PengRobinson(components)
temp, press = 322.04, 0.5*1e6
feed_comp = np.array([0.0131, 0.1816, 0.0124, 0.1096, 0.0876,
0.0838, 0.0563, 0.0221, 0.0413, 0.0289,
0.0645, 0.0953, 0.0675, 0.0610, 0.0304,
0.0444])
for vf in np.arange(0, 1.01, 0.01):
r = flash_press_vap_frac_2phase(prov, press, vf, feed_comp)
print('temp:', r.temp, 'press:', r.press, 'vap_frac', r.vap_frac_mole)
def AddCompound(self, compound_by_name, compound_obj=None):
# print('AddCompound:', compound)
if compound_obj is None:
compound_obj = chemsep.pure(compound_by_name)
else:
pass
if self._components is None:
new_components = [compound_obj]
else:
new_components = self._components[:]
new_components.append(compound_obj)
# This is really inefficient, but it's simple
self.setup_components(new_components)
def test_flash():
components = pure(['ETHANE', 'N-BUTANE', 'N-HEPTANE'])
prov = PengRobinson(components)
temp, press = 300, 101325 * 5
feed_comp = np.array([0.2, 0.3, 0.5])
# Repeat flash
temp = 406.315
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('temp:', temp, 'V/F:', results.phases, results.vap_frac_mole, results.vap.enthalpy_mole, results.enthalpy_mole)
temp = 280.61
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('temp:', temp, 'V/F:', results.phases, results.vap_frac_mole)
return results
def test_flash_temp_vap_frac():
components = pure(['NITROGEN', 'CARBON DIOXIDE', 'HYDROGEN SULFIDE',
'METHANE', 'ETHANE', 'PROPANE', 'N-BUTANE', 'ISOBUTANE',
'N-PENTANE', 'ISOPENTANE', 'N-HEXANE', 'N-HEPTANE',
'N-OCTANE', 'N-NONANE', 'N-DECANE',
'N-UNDECANE'])
prov = PengRobinson(components)
temp, press = 316.5395439844929, 0.5*1e6
feed_comp = np.array([0.0131, 0.1816, 0.0124, 0.1096, 0.0876,
0.0838, 0.0563, 0.0221, 0.0413, 0.0289,
0.0645, 0.0953, 0.0675, 0.0610, 0.0304,
0.0444])
vf = 0.5
# This flash can be a little more buggy ... we will fix later
r = flash_temp_vap_frac_2phase(prov, temp, vf, feed_comp)
print('temp:', r.temp, 'press:', r.press, 'vap_frac', r.vap_frac_mole)
def test_cavett_feed():
components = pure(['NITROGEN', 'CARBON DIOXIDE', 'HYDROGEN SULFIDE',
'METHANE', 'ETHANE', 'PROPANE', 'N-BUTANE', 'ISOBUTANE',
'N-PENTANE', 'ISOPENTANE', 'N-HEXANE', 'N-HEPTANE',
'N-OCTANE', 'N-NONANE', 'N-DECANE',
'N-UNDECANE'])
prov = PengRobinson(components)
temp, press = 322.04, 0.8*1e6
feed_comp = np.array([0.0131, 0.1816, 0.0124, 0.1096, 0.0876,
0.0838, 0.0563, 0.0221, 0.0413, 0.0289,
0.0645, 0.0953, 0.0675, 0.0610, 0.0304,
0.0444])
result = None
for temp in range(150, 500):
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('temp:', temp, 'V/F:', results.phases, results.vap_frac_mole)
return results
def rhos_vs_temp():
components = pure(['ETHANE', 'N-HEPTANE'])
prov = PengRobinson(components)
comp = np.array([0.5, 0.5])
temp_list = np.arange(300, 500)
rho_vapor, rho_liquid = [], []
press = 2.0*1e6
for temp in temp_list:
ph_vap = prov.phase(temp, press, comp, 'vap')
ph_liq = prov.phase(temp, press, comp, 'liq')
rho_vapor.append(ph_vap.dens_mole)
rho_liquid.append(ph_liq.dens_mole)
plt.plot(temp_list, rho_vapor)
plt.plot(temp_list, rho_liquid)
plt.legend(['rho_vapor', 'rho_liquid'], loc='upper right')
plt.title('Equimolar ethane-n_heptane mixture')
plt.xlabel('Temp. (K)')
plt.ylabel('Density (kg/m3)')
plt.show()
plt.close()
def test_flash_press_prop():
components = pure(['ETHANE', 'N-BUTANE', 'N-HEPTANE'])
prov = PengRobinson(components)
temp, press = 300, 101325 * 5
feed_comp = np.array([0.2, 0.3, 0.5])
# Repeat flash
for temp in [50, 100, 150, 200, 300, 320, 330, 380, 400, 480, 500, 600, 800, 1000]:
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('temp:', temp, 'V/F:', results.vap_frac_mole)
results = flash_press_prop_2phase(prov, press, 'entropy_mole', results.entropy_mole, 0, feed_comp, valid=None, previous=None)
print('temp:', results.temp, 'V/F:', results.vap_frac_mole)
print('---')
# Repeat flash
for temp in [50, 100, 150, 200, 300, 320, 330, 380, 400, 480, 500, 600, 800, 1000]:
results = basic_flash_temp_press_2phase(prov, temp, press, feed_comp, prov.all_valid_components)
print('temp:', temp, 'V/F:', results.vap_frac_mole)
results = flash_press_prop_2phase(prov, press, 'enthalpy_mole', results.enthalpy_mole, 0, feed_comp, valid=None, previous=None)
print('temp:', results.temp, 'V/F:', results.vap_frac_mole)
print('---')
