Measurements units
RETMAP works with six main metrics: pressure, temperature, loading, potential, volume,
and density. These metrics are stored and processed using the following units: MPa, K,
mg/g, kJ/mol, ml/g, and kg/m3. As such, all values provided inside the configuration
file (e.g. PREDICTION_TEMPERATURES) should be provided using the aforementioned units.
However, the user can specify inside the configuration file if the data read from the
input files is provided in different units, in which case conversion factors are used
to reach the default units. Similarly, the user can specify the units used for writing
the results.
Currently, the following measurement units are supported:
TEMPERATURE_UNITS, OUTPUT_TEMPERATURE_UNITS (default: K, type: String)
These keywords can be used to specify the measurement unit for temperature for the
input and output files, respectively. The keyword TEMPERATURE_UNITS only applies
to the data read from isobars and isosteres, and not to the input provided inside the
configuration file. Moreover, it accepts an entry for each input data file. The
keyword OUTPUT_TEMPERATURE_UNITS is used for both writing the results to files
and plotting the results. However, the retmap.out file will still use the standard
units. Only one output unit can be provided.
Options: K, R
PRESSURE_UNITS, OUTPUT_PRESSURE_UNITS (default: MPa, type: String)
These keywords can be used to specify the measurement unit for pressure for the
input and output files, respectively. The keyword PRESSURE_UNITS only applies
to the data read from isotherms and isosteres, and not to the input provided inside
the configuration file. Moreover, it accepts an entry for each input data file. The
keyword OUTPUT_PRESSURE_UNITS is used for both writing the results to files
and plotting the results. However, the retmap.out file will still use the standard
units. Only one output unit can be provided.
Options: MPa, kPa, Pa, bar, atm, Torr, mmHg
LOADING_UNITS, OUTPUT_LOADING_UNITS (default: mg/g, type: String)
These keywords can be used to specify the measurement unit for loading for the
input and output files, respectively. The keyword LOADING_UNITS only applies
to the data read from isotherms and isobars, and not to the input provided inside
the configuration file. Moreover, it accepts an entry for each input data file. The
keyword OUTPUT_LOADING_UNITS is used for both writing the results to files
and plotting the results. However, the retmap.out file will still use the standard
units. Only one output unit can be provided.
Options: mg/g, g/kg, mol/kg, mmol/g, cm3/g, mm3/mg, dm3/kg, l/kg, ml/g
POTENTIAL_UNITS, OUTPUT_POTENTIAL_UNITS (default: kJ/mol, type: String)
These keywords can be used to specify the measurement unit for potential energy
for the input and output files, respectively. The keyword POTENTIAL_UNITS only
applies to the data read from characteristics. Moreover, it accepts an entry for each
input data file. The keyword OUTPUT_POTENTIAL_UNITS is used for both writing the
results to files and plotting the results. However, the retmap.out file will still
use the standard units. Only one output unit can be provided.
Options: kJ/mol, J/mol
VOLUME_UNITS, OUTPUT_VOLUME_UNITS (default: ml/g, type: String)
These keywords can be used to specify the measurement unit for volume for the
input and output files, respectively. The keyword VOLUME_UNITS only applies
to the data read from characteristics. Moreover, it accepts an entry for each input
data file. The keyword OUTPUT_VOLUME_UNITS is used for both writing the results to
files and plotting the results. However, the retmap.out file will still use the
standard units. Only one output unit can be provided.
Options: ml/g, l/kg, cm3/g, dm3/kg
OUTPUT_DENSITY_UNITS (default: kg/m3, type: String)
The keyword OUTPUT_DENSITY_UNITS is used for both writing the results to files
and plotting the results. However, the retmap.out file will still use the standard
units. Only one output unit can be provided.
Options: kg/m3