Fugacity and molar volume for H\(_2\)O or CO\(_2\)

calculate molar volume and fugacity for H\(_2\)O or CO\(_2\) using the Pitzer and Sterner (1994) equation of state.

Usage

ps_volume(pressure, temperature, phase = c("H2O", "CO2"))

ps_fugacity(pressure, temperature, phase = c("H2O", "CO2"), ...)

Source

This is modified version of the fugacity.py script: https://github.com/forsterite/fugacity/tree/master This R version uses a precise gas constant, accepts inputs in different units, and adds the CO\(_2\) parameters.

Arguments

pressure: numeric. Pressure either in bar or as units object
temperature: numeric. Temperature either in Kelvin or as units object
phase: character. Fluid phase for which fugacity or volume should be calculated for; one of "H2O" (the default) and "CO2".
...: optional arguments passed to future.apply::future_mapply()

Value

units object

References

Pitzer, K.S. & Sterner, S.M., 1994. Equations of state valid continuously from zero to extreme pressures for H2O and CO2. Journal of Chemical Physics. 101: 3111-3116.

Examples

pressure <- units::set_units(1, atm)
temperature <- units::set_units(25, degC)
ps_volume(pressure, temperature) # 18.7231
#> 18.72311 [cm^3/mol]
ps_fugacity(pressure, temperature) # 0.04946
#> 0.04946146 [bar]

temperature2 <- units::set_units(300, degC)
pressure2 <- units::set_units(400, MPa)
ps_fugacity(pressure2, temperature2) # 37 MPa
#> 371.3371 [bar]
ps_volume(pressure2, temperature2)
#> 18.69728 [cm^3/mol]