olm.USGS.PhreeqcPandas.findPCO2atCalciteSaturation

olm.USGS.PhreeqcPandas.findPCO2atCalciteSaturation(phreeqcInputFile, PHREEQC_PATH, DATABASE_FILE, newInputFile=None, units='atm')

Finds the PCO2 where calcite would be saturated by modifing PCO2 of a PHREEQC input file.

Parameters:

phreecInputFilestr

The name of the input file to modify.

PHREEQC_PATHstring

The path to the PHREEQC executable.

DATABASE_FILEstring

The database file to be used by PHREEQC.

newInputFilestring

The name of the set-PCO2 file to create and run. If not specified, the final 5 characters will be stripped off of phreeqcInputFile and ‘set-PCO2.phrq’ will be added.

units: string

The units in which to return the partial pressure of CO2. Currently, ‘ppm’ and ‘atm’ are allowed (Default=atm).

Returns

——-

PCO2float

The PCO2 at which calcite would be in equilibrium.