Calculates disinfection byproduct (DBP) formation based on the U.S. EPA's Water Treatment Plant Model (U.S. EPA, 2001). Required arguments include an object of class "water" created by define_water chlorine dose, type, reaction time, and treatment applied (if any). The function also requires additional water quality parameters defined in define_water including bromide, TOC, UV254, temperature, and pH.
For a single water use chemdose_dbp; for a dataframe use chemdose_dbp_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_dbp(
water,
cl2,
time,
treatment = "raw",
cl_type = "chorine",
location = "plant",
correction = TRUE,
coeff = NULL
)
chemdose_dbp_df(
df,
input_water = "defined",
output_water = "disinfected",
pluck_cols = FALSE,
water_prefix = TRUE,
cl2 = "use_col",
time = "use_col",
treatment = "use_col",
cl_type = "use_col",
location = "use_col",
correction = TRUE,
coeff = NULL
)Source
TTHMs, raw: U.S. EPA (2001) equation 5-131
HAAs, raw: U.S. EPA (2001) equation 5-134
TTHMs, treated: U.S. EPA (2001) equation 5-139
HAAs, treated: U.S. EPA (2001) equation 5-142
See references list at: https://github.com/BrownandCaldwell-Public/tidywater/wiki/References
Arguments
- water
Source water object of class "water" created by
define_water- cl2
Applied chlorine dose (mg/L as Cl2). Model results are valid for doses between 1.51 and 33.55 mg/L.
- time
Reaction time (hours). Model results are valid for reaction times between 2 and 168 hours.
- treatment
Type of treatment applied to the water. Options include "raw" for no treatment (default), "coag" for water that has been coagulated or softened, and "gac" for water that has been treated by granular activated carbon (GAC). GAC treatment has also been used for estimating formation after membrane treatment with good results.
- cl_type
Type of chlorination applied, either "chlorine" (default) or "chloramine".
- location
Location for DBP formation, either in the "plant" (default), or in the distributions system, "ds".
- correction
Model calculations are adjusted based on location and cl_type. Default value is TRUE.
- coeff
Optional input to specify custom coefficients to the dbp model. Must be a data frame with the following columns: ID, and the corresponding coefficients A, a, b, c, d, e, f, and ph_const for each dbp of interest. Default value is NULL.
- df
a data frame containing a water class column, which has already been computed using define_water. The df may include columns for the other function arguments.
- 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 "disinfected".
- pluck_cols
Extract primary water slots modified by the function (tthm, haa5) into new numeric columns for easy access with TRUE. Alternatively, specify "all" to get all DBP species in addition: (tthm, chcl3, chcl2br, chbr2cl, chbr3, haa5, mcaa, dcaa, tcaa, mbaa, dbaa) Defaults to FALSE.
- water_prefix
Append the output_water name to the start of the plucked columns. Default is TRUE.
Value
chemdose_dbp returns a single water class object with predicted DBP concentrations.
chemdose_dbp_df returns a data frame containing a water class column with updated tthm, chcl3, chcl2br, chbr2cl, chbr3, haa5, mcaa, dcaa, tcaa, mbaa, dbaa
concentrations. Optionally, it also adds columns for those slots individually.
Details
The function will calculate haloacetic acids (HAA) as HAA5, and total trihalomethanes (TTHM).
Use summarize_wq(water, params = c("dbps")) to quickly tabulate the results.
Examples
example_dbp <- define_water(8, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
chemdose_dbp(cl2 = 2, time = 8)
#> Warning: Missing value for DOC. Default value of 95% of TOC will be used.
#> 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.
example_dbp <- define_water(7.5, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
chemdose_dbp(cl2 = 3, time = 168, treatment = "coag", location = "ds")
#> Warning: Missing value for DOC. Default value of 95% of TOC will be used.
#> 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.
# \donttest{
example_df <- water_df %>%
dplyr::mutate(br = 50) %>%
define_water_df() %>%
chemdose_dbp_df(input_water = "defined", cl2 = 4, time = 8)
example_df <- water_df %>%
dplyr::mutate(br = 50) %>%
dplyr::slice_sample(n = 3) %>%
define_water_df() %>%
dplyr::mutate(
cl2_dose = c(2, 3, 4),
time = 30
) %>%
chemdose_dbp_df(
cl2 = cl2_dose, treatment = "coag", location = "ds",
cl_type = "chloramine", pluck_cols = TRUE
)
#> Warning: Temperature is outside the model bounds of temp=20 Celsius for coagulated water.
#> Warning: pH is outside the model bounds of pH = 7.5 for coagulated water
#> Warning: pH is outside the model bounds of pH = 7.5 for coagulated water
#> Warning: Temperature is outside the model bounds of temp=20 Celsius for coagulated water.
#> Warning: pH is outside the model bounds of pH = 7.5 for coagulated water
# }