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%pylab inline
import phreeqpython
pp = phreeqpython.PhreeqPython('phreeqc.dat')
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sol1 = pp.add_solution({
'Ca': 3.5,
'S(6)': 3.5,
'Br': 1e-6 # Br used as tracer for evaporation
})
x = []
y = []
y2 = []
for i in range(20):
# evaporate water
sol1.remove('H2O', 55.3/20, units='mol')
sol1.desaturate('Gypsum')
x.append(sol1.total_element('Br', units='mol')/sol1.mass/1e-9)
y.append(sol1.total_element('S', units='mol')/ sol1.mass)
y2.append(sol1.total_element('Ca', units='mol')/ sol1.mass)
sol2 = pp.add_solution({
'Ca': 3.5,
'S(6)': 7.0,
'Br': 1e-6 # Br used as tracer for evaporation
})
y3 = []
y4 = []
for i in range(20):
sol2.remove('H2O', 55.3/20, units='mol')
sol2.desaturate('Gypsum')
y3.append(sol2.total_element('S', units='mol')/ sol2.mass)
y4.append(sol2.total_element('Ca', units='mol')/ sol2.mass)
plt.figure(figsize=[10,5])
plt.plot(x,y, 'rs-', label='SO4(=Ca)')
plt.plot(x,y2, 'gd-', label='Ca')
plt.plot(x,y3, 'b^-', label='SO4(=2*Ca)')
plt.plot(x,y4, 'yd-', label='Ca')
plt.yscale('log')
plt.xscale('log')
plt.legend()
plt.grid()
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