In [2]:

    

import sys
sys.path.append('../')

import matplotlib.pyplot as plt
from porousmedialab.batch import Batch
import numpy as np
import seaborn as sns
%matplotlib inline


    

In [3]:

    

bl = Batch(tend = 30, dt = 0.1)


    

In [4]:

    

C_init=0.1/4
bl.add_species(name='H3PO4', init_conc=C_init)
bl.add_species(name='H2PO4', init_conc=C_init)
bl.add_species(name='HPO4', init_conc=C_init)
bl.add_species(name='PO4', init_conc=C_init)

bl.add_acid(species=['H3PO4', 'H2PO4', 'HPO4', 'PO4'], pKa=[2.148, 7.198, 12.375])


    

In [5]:

    

bl.add_species(name='Na', init_conc=0)
bl.add_species(name='NaOH', init_conc=0)
bl.add_acid(species=['Na', 'NaOH'], charge=1, pKa=[13.8])


    

In [6]:

    

bl.dcdt['NaOH'] = '1e-2'  # units of mass per units of time


    

In [7]:

    

bl.solve()


    

    




Simulation started:
	 2018-09-30 13:02:52


Estimated time of the code execution:
	 0h:00m:01s
Will finish approx.:
	 2018-09-30 13:02:53

In [8]:

    

bl.plot_profiles()


    

    




No handles with labels found to put in legend.
No handles with labels found to put in legend.
No handles with labels found to put in legend.
No handles with labels found to put in legend.
No handles with labels found to put in legend.
No handles with labels found to put in legend.
No handles with labels found to put in legend.






    













    













    













    













    













    













    

In [9]:

    

bl.plot_fractions()


    

In [38]:

    

fig, ax1 = plt.subplots(figsize=(5,3), dpi=200)
ax2 = ax1.twinx()
ax1.plot(bl.time, bl.pH['concentration'][0], 'k-.', lw=3, label='pH')
ax2.plot(bl.time, np.log10(bl.H3PO4['concentration'][0]), c=sns.color_palette("deep", 10)[0], label='$H_3PO_4$', lw=3)
ax2.plot(bl.time, np.log10(bl.H2PO4['concentration'][0]), c=sns.color_palette("deep", 10)[1], label='$H_2PO_4$', lw=3)
ax2.plot(bl.time, np.log10(bl.HPO4['concentration'][0]), c=sns.color_palette("deep", 10)[2],label='$HPO_4$', lw=3)
ax2.plot(bl.time, np.log10(bl.PO4['concentration'][0]), c=sns.color_palette("deep", 10)[3],label='$PO_4$', lw=3)
ax1.set_ylim(0,14)
ax2.set_ylim(-4.5,-1)
ax1.grid(lw=0.2)
ax2.grid(lw=0.2)
ax1.set_xlabel('Time, [T]')
ax1.set_xlim(0,30)
ax1.set_ylabel('pH')
ax2.set_ylabel('log (C)')
ax2.legend(loc=4, frameon=1)
ax1.legend(loc=3, frameon=1)


    

    
Out[38]:





<matplotlib.legend.Legend at 0x1a0e987c88>






    

In [11]: