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]:

    

tend = 0.05
dt = 0.0001
phi=0.5


    

In [3]:

    

bl = Batch(tend, dt)


    

In [4]:

    

C_init=0.0001/3
bl.add_species(name='H2CO3', init_conc=0)
bl.add_species(name='HCO3', init_conc=0)
bl.add_species(name='CO3', init_conc=0)

bl.add_acid(species=['H2CO3', 'HCO3', 'CO3'], pKa=[3.6, 10.32])

bl.add_species(name='Ca', init_conc=0)
bl.add_species(name='CaCO3', init_conc=0)


bl.add_ion(name='Ca', charge=2)


    

In [5]:

    

bl.constants['Ks_CaCO3'] = 3.3e-9
bl.constants['k_pre'] = 1e-2
bl.constants['k_dis'] = 1e-1


    

In [6]:

    

bl.rates['R_pre_CaCO3'] = 'k_pre * (Ca*CO3/Ks_CaCO3-1)'
bl.rates['R_dis_CaCO3'] = 'k_dis * CaCO3 * (1 - Ca*CO3/Ks_CaCO3)'


    

In [7]:

    

bl.dcdt['CaCO3'] = 'R_pre_CaCO3 - R_dis_CaCO3'
bl.dcdt['Ca'] = '-R_pre_CaCO3 + R_dis_CaCO3  +1e-2'
bl.dcdt['CO3'] = '-R_pre_CaCO3 + R_dis_CaCO3 +1e-2'


    

In [8]:

    

bl.solve()


    

    




Simulation started:
	 2018-09-30 09:36:48


Estimated time of the code execution:
	 0h:00m:01s
Will finish approx.:
	 2018-09-30 09:36:50

In [9]:

    

bl.plot_profiles()


    

    




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In [10]:

    

plt.plot(bl.time, bl.CO3['concentration'][0]*bl.Ca['concentration'][0])
plt.axhline(bl.constants['Ks_CaCO3'], c='k')


    

    
Out[10]:





<matplotlib.lines.Line2D at 0x1157b4ac8>






    

In [11]:

    

bl.reconstruct_rates()


    

In [12]:

    

bl.plot_rates()


    

In [13]: