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Calculate chlorine and chloramine Concentrations with the breakpoint cblorination approach

Source: R/chemdose_chloramine.R
chemdose_chloramine.Rd

chemdose_chloramine, adopted from the U.S. EPA's Chlorine Breakpoint Curve Simulator, calculates chlorine and chloramine concentrations based on the two papers Jafvert & Valentine (Environ. Sci. Technol., 1992, 26 (3), pp 577-586) and Vikesland et al. (Water Res., 2001, 35 (7), pp 1766-1776). Required arguments include an object of class "water" created by define_water, chlorine dose, and reaction time. The function also requires additional water quality parameters defined in define_water including temperature, pH, and alkalinity. For a single water use chemdose_chloramine; for a dataframe use chemdose_chloramine_df. Use pluck_cols = TRUE to get values from the output water as new dataframe columns. For most arguments in the _df helper "use_col" default looks for a column of the same name in the dataframe. The argument can be specified directly in the function instead or an unquoted column name can be provided.

Usage

chemdose_chloramine(
  water,
  time,
  cl2 = 0,
  nh3 = 0,
  use_free_cl_slot = FALSE,
  use_tot_nh3_slot = FALSE
)

chemdose_chloramine_df(
  df,
  input_water = "defined",
  output_water = "chloraminated",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  time = "use_col",
  cl2 = "use_col",
  nh3 = "use_col",
  use_free_cl_slot = "use_col",
  use_tot_nh3_slot = "use_col"
)

Source

See references list at: https://github.com/BrownandCaldwell-Public/tidywater/wiki/References

Arguments

water

Source water object of class "water" created by define_water

time

Reaction time (minutes). Time defined needs to be greater or equal to 1 minute.

cl2

Applied chlorine dose (mg/L as Cl2), defaults to 0.If not specified, use free_chlorine slot in water.

nh3

Applied ammonia dose (mg/L as N), defaults to 0. If not specified, use tot_nh3 slot in water.

use_free_cl_slot

Defaults to FALSE. If TRUE, uses free_chlorine slot in water. If TRUE AND there is a cl2 input, both the free_chlorine water slot and chlorine dose will be used.

use_tot_nh3_slot

Defaults to FALSE. If TRUE, uses tot_nh3 slot in water. If TRUE AND there is a nh3 input, both the tot_nh3 water slot and ammonia dose will be used.

df

a data frame containing a water class column, which has already been computed using define_water_df. The df may include a column named for the applied chlorine dose (cl2_dose), and a column for time in hours.

input_water

name of the column of water class data to be used as the input for this function. Default is "defined".

output_water

name of the output column storing updated water class object. Default is "chloraminated".

pluck_cols

Extract water slots modified by the function ("free_chlorine", "nh2cl", "nhcl2", "ncl3", "combined_chlorine", "tot_nh3") into new numeric columns for easy access. Default to FALSE.

water_prefix

Append the output_water name to the start of the plucked columns. Default is TRUE.

Value

chemdose_chloramine returns a water class object with predicted chlorine and chloramine concentrations.

chemdose_chloramine_df returns a data frame containing water class column with updated chlorine/chloramine slots: free_chlorine, nh2cl, nhcl2, ncl3, combined_chlorine, tot_nh3. Optionally, it also adds columns for each of those slots individually.

Examples

breakpoint <- define_water(7.5, 20, 65, free_chlorine = 5, tot_nh3 = 1) %>%
  chemdose_chloramine(time = 40, cl2 = 2, nh3 = 1, use_free_cl_slot = TRUE)
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Major ions missing and neither TDS or conductivity entered. Ideal conditions will be assumed. Ionic strength will be set to NA and activity coefficients in future calculations will be set to 1.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Ammonia dose was used as the initial free ammonia. tot_nh3 slot in water (0.000071 mol/L) was ignored.
#>               If you want to use ONLY tot_nh3 slot in water, please set use_tot_nh3_slot to TRUE and remove ammonia dose.
#>               If you want to use BOTH tot_nh3 slot in water and ammonia dose, use_tot_nh3_slot to TRUE.

# \donttest{
breakpoint <- water_df %>%
  dplyr::mutate(free_chlorine = 5, tot_nh3 = 1) %>%
  define_water_df() %>%
  dplyr::mutate(
    time = 8,
    cl2dose = rep(c(2, 3, 4), 4)
  ) %>%
  chemdose_chloramine_df(
    output_water = "final",
    cl2 = cl2dose,
    use_free_cl_slot = TRUE,
    use_tot_nh3_slot = TRUE,
    pluck_cols = TRUE
  )
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Both chlorine and ammonia are present and may form chloramines.
#> Use chemdose_chloramine for breakpoint caclulations.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
#> Warning: Chlorine dose and free chlorine slot in water (0.000071 mol/L) were BOTH used.
#>             If you want to use ONLY the chlorine dose, please set use_free_cl_slot to FALSE.
#>             If you want to use ONLY the free chlorine water slot, remove chlorine dose.
# }