pb_sol_jurgens: Calculate equilibrium lead solubility, approximating the...

In bentrueman/pbcusol: Predict Lead and Copper Solubility

Calculate equilibrium lead solubility, approximating the method of Jurgens et al.

Description

Experimental implementation of the approach to lead solubility calculation outlined in Jurgens et al. https://doi.org/10.1021/acs.est.8b04475.

Usage

pb_sol_jurgens(
  Pb = 1,
  ph,
  dic,
  phosphate = 0,
  phase,
  element = "Pb",
  eq_phase_components = list(),
  new_phase = list(),
  phase_out = "Fix_pH",
  new_species = list(),
  surface_components = list(),
  output_components = list(),
  buffer = "NaOH",
  db = phreeqc::Amm.dat,
  print = NULL,
  ...
)

Arguments

Pb	Concentrations of Pb initially present in solution (micrograms/L).
ph	pH
dic	Dissolved inorganic carbon, in mg C/L.
phosphate	Orthophosphate, in mg P/L.
phase	Equilibrium phase.
element	An element to return the equilibrium concentration of.
eq_phase_components	Additional equilibrium phase components, passed to tidyphreeqc::phr_input_section as a list.
new_phase	Define phases not included in the database.
phase_out	Add an equilibrium phase to the output. Default is the pseudophase "Fix_pH".
new_species	Define solution species not included in the database.
surface_components	Components of a surface assemblage, passed to tidyphreeqc::phr_input_section as a list.
output_components	Additional output components, passed to tidyphreeqc::phr_input_section as a list.
buffer	Substance added or subtracted from the solution to yield the desired pH.
db	The database to use for equilibrium solubility computations. The default is leadsol
print	Choose whether to print the input file ("input"), the full output ("output"), or the selected output. Default is the latter.
...	Arguments passed on to tidyphreeqc::phr_input_section() as solution phase components. Concentrations should be expressed in mmol/kgw.

Value

A tibble with columns representing equilibrium phase, pH, dissolved inorganic carbon, orthophosphate (as P), pe, ionic strength (mu), total concentration of chosen element in solution, and moles of the equilibrium phase dissolved.

Examples

pb_sol_jurgens(ph = 8, dic = 5)

bentrueman/pbcusol documentation built on Oct. 25, 2024, 1:06 p.m.