chemdose_ph_chain function

Apply chemdose_ph within a dataframe and output a column of water class to be chained to other tidywater functions

This function allows chemdose_ph to be added to a piped data frame. Its output is a water class, and can therefore be used with "downstream" tidywater functions. Ions and pH will be updated based on input chemical doses.

chemdose_ph_chain(
  df,
  input_water = "defined_water",
  output_water = "dosed_chem_water",
  hcl = 0,
  h2so4 = 0,
  h3po4 = 0,
  co2 = 0,
  naoh = 0,
  na2co3 = 0,
  nahco3 = 0,
  caoh2 = 0,
  mgoh2 = 0,
  cl2 = 0,
  naocl = 0,
  nh4oh = 0,
  nh42so4 = 0,
  alum = 0,
  ferricchloride = 0,
  ferricsulfate = 0,
  ach = 0,
  caco3 = 0
)

Arguments

• df: a data frame containing a water class column, which has already been computed using define_water_chain. The df may include columns named for the chemical(s) being dosed.
• input_water: name of the column of water class data to be used as the input for this function. Default is "defined_water".
• output_water: name of the output column storing updated parameters with the class, water. Default is "dosed_chem_water".
• hcl: Hydrochloric acid: HCl -> H + Cl
• h2so4: Sulfuric acid: H2SO4 -> 2H + SO4
• h3po4: Phosphoric acid: H3PO4 -> 3H + PO4
• co2: Carbon Dioxide CO2 (gas) + H2O -> H2CO3*
• naoh: Caustic: NaOH -> Na + OH
• na2co3: Soda ash: Na2CO3 -> 2Na + CO3
• nahco3: Sodium bicarbonate: NaHCO3 -> Na + H + CO3
• caoh2: Lime: Ca(OH)2 -> Ca + 2OH
• mgoh2: Magneisum hydroxide: Mg(OH)2 -> Mg + 2OH
• cl2: Chlorine gas: Cl2(g) + H2O -> HOCl + H + Cl
• naocl: Sodium hypochlorite: NaOCl -> Na + OCl
• nh4oh: Amount of ammonium hydroxide added in mg/L as N: NH4OH -> NH4 + OH
• nh42so4: Amount of ammonium sulfate added in mg/L as N: (NH4)2SO4 -> 2NH4 + SO4
• alum: Hydrated aluminum sulfate Al2(SO4)3*14H2O + 6HCO3 -> 2Al(OH)3(am) +3SO4 + 14H2O + 6CO2
• ferricchloride: Ferric Chloride FeCl3 + 3HCO3 -> Fe(OH)3(am) + 3Cl + 3CO2
• ferricsulfate: Amount of ferric sulfate added in mg/L: Fe2(SO4)3*8.8H2O + 6HCO3 -> 2Fe(OH)3(am) + 3SO4 + 8.8H2O + 6CO2
• ach: Amount of aluminum chlorohydrate added in mg/L: Al2(OH)5Cl*2H2O + HCO3 -> 2Al(OH)3(am) + Cl + 2H2O + CO2
• caco3: Amount of calcium carbonate added (or removed) in mg/L: CaCO3 -> Ca + CO3

Returns

A data frame containing a water class column with updated pH, alkalinity, and ions post-chemical addition.

Details

The data input comes from a water class column, as initialized in define_water or balance_ions.

If the input data frame has a column(s) name matching a valid chemical(s), the function will dose that chemical(s) in addition to the ones specified in the function's arguments. The column names must match the chemical names as displayed in chemdose_ph. To see which chemicals can be passed into the function, see chemdose_ph.

For large datasets, using fn_once or fn_chain may take many minutes to run. These types of functions use the furrr package for the option to use parallel processing and speed things up. To initialize parallel processing, use plan(multisession) or plan(multicore) (depending on your operating system) prior to your piped code with the fn_once or fn_chain functions. Note, parallel processing is best used when your code block takes more than a minute to run, shorter run times will not benefit from parallel processing.

Examples

library(purrr)
library(furrr)
library(tidyr)
library(dplyr)

example_df <- water_df %>%
  define_water_chain() %>%
  balance_ions_chain() %>%
  chemdose_ph_chain(input_water = "balanced_water", naoh = 5)

example_df <- water_df %>%
  define_water_chain() %>%
  balance_ions_chain() %>%
  mutate(
    hcl = seq(1, 12, 1),
    naoh = 20
  ) %>%
  chemdose_ph_chain(input_water = "balanced_water", mgoh2 = 55, co2 = 4)

# Initialize parallel processing
plan(multisession, workers = 2) # Remove the workers argument to use all available compute
example_df <- water_df %>%
  define_water_chain() %>%
  balance_ions_chain() %>%
  chemdose_ph_chain(input_water = "balanced_water", naoh = 5)

# Optional: explicitly close multisession processing
plan(sequential)

See Also

chemdose_ph