In [1]:

    

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 [2]:

    

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


    

In [3]:

    

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 [4]:

    

bl.add_species(name='Na', init_conc=0)
bl.add_ion(name='Na', charge=1)


    

In [5]:

    

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


    

In [6]:

    

bl.solve()


    

    




Simulation started:
	 2018-09-27 17:09:02


Estimated time of the code execution:
	 0h:00m:00s
Will finish approx.:
	 2018-09-27 17:09:03

In [7]:

    

bl.plot_profiles()


    

    




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In [8]:

    

bl.plot_fractions()


    

In [10]:

    

fig, ax1 = plt.subplots()
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]), label='H3PO4', lw=3)
ax2.plot(bl.time, np.log10(bl.H2PO4['concentration'][0]), label='H2PO4', lw=3)
ax2.plot(bl.time, np.log10(bl.HPO4['concentration'][0]), label='HPO4', lw=3)
ax2.plot(bl.time, np.log10(bl.PO4['concentration'][0]), label='PO4', lw=3)
ax1.set_ylim(0,14)
ax2.set_ylim(-6,-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[10]:





<matplotlib.legend.Legend at 0x1a14750fd0>






    

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