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git-subtree-dir: examples/com git-subtree-mainline: 6440359f1983c3200dc42fbcd59ed98edf376c7d git-subtree-split: f90209d22ab165052a564c0ccdd346071d1fc803
52 lines
1.7 KiB
Python
52 lines
1.7 KiB
Python
"""Compares gypsum solubility for WATEQ4F and Pitzer databases.
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"""
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# Import standard library modules first.
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import os
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# Then get third party modules.
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from win32com.client import Dispatch
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import matplotlib.pyplot as plt
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def selected_array(db_path, input_string):
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"""Load database via COM and run input string.
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"""
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dbase = Dispatch('IPhreeqcCOM.Object')
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dbase.LoadDatabase(db_path)
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dbase.RunString(input_string)
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return dbase.GetSelectedOutputArray()
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def show_results(input_string):
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"""Get results for different databases
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"""
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wateq4f_result = selected_array('wateq4f.dat', input_string)
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pitzer_result = selected_array('pitzer.dat', input_string)
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# Get data from the arrays.
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nacl_conc = [entry[0] for entry in wateq4f_result][1:]
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wateq4f_values = [entry[1] for entry in wateq4f_result][1:]
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pitzer_values = [entry[1] for entry in pitzer_result][1:]
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# Plot
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plt.plot(nacl_conc, pitzer_values, 'k', nacl_conc, wateq4f_values,'k--')
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plt.axis([0, 6, 0, .06])
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plt.legend(('PITZER','WATEQ4F'), loc = (0.4, 0.4))
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plt.ylabel('GYPSUM SOLUBILITY, MOLES PER KILOGRAM WATER')
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plt.xlabel('NaCl, MOLES PER KILOGRAM WATER')
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plt.savefig("Figure2.png")
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plt.show()
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if __name__ == '__main__':
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# This will only run when called as script from the command line
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# and not when imported from another script.
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INPUT_STRING = """
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SOLUTION 1
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END
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INCREMENTAL_REACTIONS
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REACTION
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NaCl 1.0
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0 60*0.1 moles
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EQUILIBRIUM_PHASES
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Gypsum
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USE solution 1
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SELECTED_OUTPUT
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-reset false
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-total Na S(6)
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END"""
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show_results(INPUT_STRING) |