olm.USGS.PhreeqcPandas.calciteSaturationAtFixedPCO2

olm.USGS.PhreeqcPandas.calciteSaturationAtFixedPCO2(logPCO2, phreeqcInputFile, PHREEQC_PATH, DATABASE_FILE, newInputFile=None)

Function used in root finding of saturation PCO2.

Function is used by findPCO2atCalciteSaturation(). As a stand alone function, it’s better to use phreeqcRunSetPCO2().

Parameters:

phreecInputFilestr

The name of the input file to modify.

logPCO2float

Log10 of the PCO2 value to set the sample to.

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.

Returns

——-

SIfloat

Saturation index of calcite for given PCO2.