Package {tidywater}

Type:	Package
Title:	Water Quality Models for Drinking Water Treatment Processes
Version:	0.11.0
URL:	https://github.com/BrownandCaldwell-Public/tidywater, https://brownandcaldwell-public.github.io/tidywater/
BugReports:	https://github.com/BrownandCaldwell-Public/tidywater/issues
Description:	Provides multiple water chemistry-based models and published empirical models in one standard format. As many models have been included as possible, however, users should be aware that models have varying degrees of accuracy and applicability. To learn more, read the references provided below for the models implemented. Functions can be chained together to model a complete treatment process and are designed to work in a 'tidyverse' workflow. Models are primarily based on these sources: Benjamin, M. M. (2002, ISBN:147862308X), Crittenden, J. C., Trussell, R., Hand, D., Howe, J. K., & Tchobanoglous, G., Borchardt, J. H. (2012, ISBN:9781118131473), USEPA. (2001) https://www.epa.gov/sites/default/files/2017-03/documents/wtp_model_v._2.0_manual_508.pdf.
License:	Apache License (≥ 2) | MIT + file LICENSE
Encoding:	UTF-8
LazyData:	true
Imports:	dplyr, tidyr, forcats, knitr, ggplot2, ggrepel, magrittr, methods, rlang, deSolve, lifecycle, cli
Depends:	R (≥ 4.1)
Suggests:	rmarkdown, purrr, testthat (≥ 3.0.0)
Config/testthat/edition:	3
VignetteBuilder:	knitr
Date:	2026-10-29
Config/roxygen2/version:	8.0.0
RoxygenNote:	7.3.3
NeedsCompilation:	no
Packaged:	2026-11-13 23:57:55 UTC; SJohnson2
Author:	Sierra Johnson [aut, cre], Libby McKenna [aut], Riley Mulhern [aut], Chris Corwin [aut], Rachel Merrifield [ctb], Mayuri Namasivayam [ctb], Phoebe Chen [ctb], Jiaming Yuan [ctb], Atticus Fretz [ctb], Bengu Kilinc [ctb], Hania Zanib [ctb], USEPA [cph] (Copyright holder of included TELSS fragments (dissolve_pb function)), Brown and Caldwell [fnd, cph]
Maintainer:	Sierra Johnson <sjohnson2@brwncald.com>
Repository:	CRAN
Date/Publication:	2026-11-14 00:30:02 UTC

tidywater: Water Quality Models for Drinking Water Treatment Processes

Description

Provides multiple water chemistry-based models and published empirical models in one standard format. As many models have been included as possible, however, users should be aware that models have varying degrees of accuracy and applicability. To learn more, read the references provided below for the models implemented. Functions can be chained together to model a complete treatment process and are designed to work in a 'tidyverse' workflow. Models are primarily based on these sources: Benjamin, M. M. (2002, ISBN:147862308X), Crittenden, J. C., Trussell, R., Hand, D., Howe, J. K., & Tchobanoglous, G., Borchardt, J. H. (2012, ISBN:9781118131473), USEPA. (2001) https://www.epa.gov/sites/default/files/2017-03/documents/wtp_model_v._2.0_manual_508.pdf.

Author(s)

Maintainer: Sierra Johnson sjohnson2@brwncald.com

Authors:

• Libby McKenna lmckenna@brwncald.com

• Riley Mulhern rmulhern@brwncald.com (ORCID)

• Chris Corwin ccorwin@brwncald.com (ORCID)

Other contributors:

• Rachel Merrifield [contributor]

• Mayuri Namasivayam [contributor]

• Phoebe Chen [contributor]

• Jiaming Yuan [contributor]

• Atticus Fretz [contributor]

• Bengu Kilinc [contributor]

• Hania Zanib [contributor]

• USEPA (Copyright holder of included TELSS fragments (dissolve_pb function)) [copyright holder]

• Brown and Caldwell [funder, copyright holder]

See Also

Useful links:

• https://github.com/BrownandCaldwell-Public/tidywater

• https://brownandcaldwell-public.github.io/tidywater/

• Report bugs at https://github.com/BrownandCaldwell-Public/tidywater/issues

Pipe operator

Description

See magrittr::%>% for details.

Usage

lhs %>% rhs

Arguments

Value

The result of calling rhs(lhs).

Add an ion to balance overall charge in a water

Description

This function takes a water defined by define_water and balances charge. For a single water use balance_ions; for a dataframe use balance_ions_df. Use pluck_cols = TRUE to get values from the output water as new dataframe columns.

Usage

balance_ions(water, anion = "cl", cation = "na")

balance_ions_df(
  df,
  input_water = "defined",
  output_water = "balanced",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  anion = "cl",
  cation = "na"
)

Arguments

Details

If more cations are needed, sodium will be added. User may specify which cation ("na", "k", "ca", or "mg") to use for balancing. If calcium and magnesium are not specified when defining a water with define_water, they will default to 0 and not be changed by this function unless specified in the cation argument. Anions are added by default with chloride. User may specify which anion ("cl", "so4") to use for balancing. This function is purely mathematical. User should always check the outputs to make sure values are reasonable for the input source water.

Value

balance_ions returns a single water class object with updated ions to balance water charge.

balance_ions_df returns a dataframe with a new column with the ion balanced water

Examples

water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10) %>%
  balance_ions()

water_defined <- define_water(7, 20, 50, tot_hard = 150) %>%
  balance_ions(anion = "so4")

example_df <- water_df %>%
  define_water_df() %>%
  balance_ions_df(anion = "so4", cation = "ca")

Determine TOC removal from biofiltration using Terry & Summers, Peterson & Summers, or Terry et al models

Description

This function applies the Terry model to a water created by define_water to determine biofiltered DOC (mg/L). The Terry & Summers (2018) model does not adjust for ozone dose but assumes a constant biodegradable fraction based on whether or not the water was ozonated. When the reuse argument is TRUE, the Peterson and Summers (2021) model is used to determine biofiltered TOC (mg/L). The Peterson & Summers (2021) model does not adjust for temperature impacts due to a lack of collected temperature data in the metanalysis literature. Peterson & Summers (2021) is also a TOC-basis model, so the output water object's BDOC slot will not be updated. If a lab-measured ATP concentration is known, the Terry et al. (2024) model can be used to determine biofiltered DOC (mg/L) for both drinking water and reuse. The Terry et al. (2024) model has similar BDOC assumptions as Terry & Summers (2018), but the model ATP value can be adjusted for biofilter water temperature. For all three models, all particulate TOC is assumed to be removed so TOC = DOC. For a single water use biofilter_toc; for a dataframe use biofilter_toc_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

biofilter_toc(
  water,
  ebct,
  ozonated = TRUE,
  ozone_dose = 0,
  reuse = FALSE,
  media_type = "anthracite",
  atp = 0
)

biofilter_toc_df(
  df,
  input_water = "defined",
  output_water = "biofiltered",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  ebct = "use_col",
  ozonated = "use_col",
  ozone_dose = "use_col",
  reuse = "use_col",
  media_type = "use_col",
  atp = "use_col"
)

Arguments

Value

biofilter_toc returns water class object with modeled DOC removal from biofiltration.

biofilter_toc_df returns a data frame containing a water class column with updated DOC, TOC, and BDOC concentrations. Optionally, it also adds columns for each of those slots individually.

Source

Terry and Summers 2018

Peterson and Summers 2021

Terry et al. 2024

Examples

water <- define_water(ph = 7, temp = 25, alk = 100, toc = 5.0, doc = 4.0, uv254 = .1) %>%
  biofilter_toc(ebct = 10, ozonated = FALSE)


example_df <- water_df %>%
  define_water_df() %>%
  biofilter_toc_df(input_water = "defined", ebct = c(10, 15), ozonated = FALSE)

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(
    BiofEBCT = c(10, 10, 10, 15, 15, 15, 20, 20, 20, 25, 25, 25),
    ozonated = c(rep(TRUE, 6), rep(FALSE, 6))
  ) %>%
  biofilter_toc_df(input_water = "defined", ebct = BiofEBCT)

Determine blended water quality from multiple waters based on mass balance and acid/base equilibrium

Description

This function takes a vector of waters defined by define_water and a vector of ratios and outputs a new water object with updated ions and pH. For a single blend use blend_waters; for a dataframe use blend_waters_df. Use pluck_water to get values from the output water as new dataframe columns.

Usage

blend_waters(waters, ratios)

blend_waters_df(df, waters, ratios, output_water = "blended")

Arguments

Value

blend_waters returns a water class object with blended water quality parameters.

blend_waters_df returns a data frame with a water class column containing blended water quality

See Also

define_water

Examples

water1 <- define_water(7, 20, 50)
water2 <- define_water(7.5, 20, 100, tot_nh3 = 2)
blend_waters(c(water1, water2), c(.4, .6))


example_df <- water_df %>%
  dplyr::slice_head(n = 3) %>%
  define_water_df() %>%
  chemdose_ph_df(naoh = 22) %>%
  dplyr::mutate(
    ratios1 = .4,
    ratios2 = .6
  ) %>%
  blend_waters_df(
    waters = c("defined", "dosed_chem"),
    ratios = c("ratios1", "ratios2"), output_water = "Blending_after_chemicals"
  )


waterA <- define_water(7, 20, 100, tds = 100)
example_df <- water_df %>%
  dplyr::slice_head(n = 3) %>%
  define_water_df() %>%
  blend_waters_df(waters = c("defined", waterA), ratios = c(.8, .2))

Data frame of bromate coefficients for predicting bromate formation during ozonation

Description

A dataset containing coefficients for calculating ozone formation

Usage

bromatecoeffs

Format

A dataframe with 30 rows and 10 columns

model

First author of source model

ammonia

Either T or F, depending on whether the model applies to waters with ammonia present.

A

First coefficient in bromate model

a

Exponent in bromate model, associated with Br-

b

Exponent in bromate model, associated with DOC

c

Exponent in bromate model, associated with UVA

d

Exponent in bromate model, associated with pH

e

Exponent in bromate model, associated with Alkalinity

f

Exponent in bromate model, associated with ozone dose

g

Exponent in bromate model, associated with reaction time

h

Exponent in bromate model, associated with ammonia (NH4+)

i

Exponent in bromate model, associated with temperature

I

Coefficient in bromate model, associated with temperature in the exponent. Either i or I are used, not both.

Source

Ozekin (1994), Sohn et al (2004), Song et al (1996), Galey et al (1997), Siddiqui et al (1994)

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

Calculate activity coefficients

Description

This function calculates activity coefficients at a given temperature based on equation 5-43 from Davies (1967), Crittenden et al. (2012)

Usage

calculate_activity(z, is, temp)

Arguments

Value

A numeric value for the activity coefficient.

Examples

calculate_activity(2, 0.1, 25)

Calculate six corrosion and scaling indices (AI, RI, LSI, LI, CSMR, CCPP)

Description

This function takes an object created by define_water and calculates corrosion and scaling indices. For a single water, use calculate_corrosion; to apply the calculations to a dataframe, use calculate_corrosion_df.

Usage

calculate_corrosion(
  water,
  index = c("aggressive", "ryznar", "langelier", "ccpp", "larsonskold", "csmr"),
  form = "calcite"
)

calculate_corrosion_df(
  df,
  input_water = "defined",
  water_prefix = TRUE,
  index = c("aggressive", "ryznar", "langelier", "ccpp", "larsonskold", "csmr"),
  form = "calcite"
)

Arguments

Details

Aggressiveness Index (AI), unitless - the corrosive tendency of water and its effect on asbestos cement pipe.

Ryznar Index (RI), unitless - a measure of scaling potential.

Langelier Saturation Index (LSI), unitless - describes the potential for calcium carbonate scale formation. Equations use empirical calcium carbonate solubilities from Plummer and Busenberg (1982) and Crittenden et al. (2012) rather than calculated from the concentrations of calcium and carbonate in the water.

Larson-skold Index (LI), unitless - describes the corrosivity towards mild steel.

Chloride-to-sulfate mass ratio (CSMR), mg Cl/mg SO4 - indicator of galvanic corrosion for lead solder pipe joints.

Calcium carbonate precipitation potential (CCPP), mg/L as CaCO3 - a prediction of the mass of calcium carbonate that will precipitate at equilibrium. A positive CCPP value indicates the amount of CaCO3 (mg/L as CaCO3) that will precipitate. A negative CCPP indicates how much CaCO3 can be dissolved in the water. CCPP is always calculated against calcite solubility, following Merrill and Sanks (1977a, 1977b, 1978) and Trussell (1998); the form argument does not affect CCPP.

If chloride or sulfate is missing, the Larson-Skold index and CSMR are returned as NA with a warning, and the other requested indices are still calculated.

Value

calculate_corrosion returns a data frame with corrosion and scaling indices as individual columns.

calculate_corrosion_df returns the a data frame containing specified corrosion and scaling indices as columns.

Source

AWWA (1977)

Crittenden et al. (2012)

Langelier (1936)

Larson and Skold (1958)

Merrill and Sanks (1977a)

Merrill and Sanks (1977b)

Merrill and Sanks (1978)

Nguyen et al. (2011)

Plummer and Busenberg (1982)

Ryznar (1944)

Schock (1984)

Trussell (1998)

U.S. EPA (1980)

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

Examples

water <- define_water(
  ph = 8, temp = 25, alk = 200, tot_hard = 200,
  tds = 576, cl = 150, so4 = 200
)
corrosion_indices <- calculate_corrosion(water)

water <- define_water(ph = 8, temp = 25, alk = 100, tot_hard = 50, tds = 200)
corrosion_indices <- calculate_corrosion(water, index = c("aggressive", "ccpp"))


example_df <- water_df %>%
  define_water_df() %>%
  calculate_corrosion_df(index = c("aggressive", "ccpp"))

Calculate hardness from calcium and magnesium

Description

This function takes Ca and Mg in mg/L and returns hardness in mg/L as CaCO3

Usage

calculate_hardness(ca, mg, type = "total", startunit = "mg/L")

Arguments

Value

A numeric value for the total hardness in mg/L as CaCO3.

Examples

calculate_hardness(50, 10)

water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10, tot_po4 = 1)
calculate_hardness(water_defined@ca, water_defined@mg, "total", "M")

check a water object for common issues and applicable models

Description

This function takes a previously defined water class input and checks common mismatch issues with water quality. It returns an unnamed list with the check, the value, and a flag if there is an issue. It will also check to see what other tidywater models are applicable to the input water unless the user specifies to skip that step.

Usage

check_water(water, skip_models = FALSE)

Arguments

Details

This function serves as a heuristic check for users to check common issues with water data.

Value

an unnamed list with the check, value, and flag for any issues found. If skip_models = FALSE, also includes a check for applicable models with tidywater functions.

Examples

water1<-define_water(ph=7, alk = 70)
check_water(water1)

water2<-define_water( ph=7, alk = 70, ca = 20, na = 20, cl = 20, so4 = 20)
check_water(water2, skip_models = TRUE)

Calculate chlorine and chloramine Concentrations with the breakpoint cblorination approach

Description

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,
  keep_dose_cols = FALSE,
  time = "use_col",
  cl2 = "use_col",
  nh3 = "use_col",
  use_free_cl_slot = "use_col",
  use_tot_nh3_slot = "use_col"
)

Arguments

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.

Source

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

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)


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
  )

Calculate chlorine decay

Description

calculates the decay of chlorine or chloramine based on the U.S. EPA's Water Treatment Plant Model (U.S. EPA, 2001). For a single water use chemdose_chlordecay; for a dataframe use chemdose_chlordecay_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_chlordecay(
  water,
  cl2_dose,
  time,
  treatment = "raw",
  cl_type = "chlorine",
  use_chlorine_slot = FALSE
)

chemdose_chlordecay_df(
  df,
  input_water = "defined",
  output_water = "disinfected",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  cl2_dose = "use_col",
  time = "use_col",
  treatment = "use_col",
  cl_type = "use_col",
  use_chlorine_slot = "use_col"
)

Arguments

Details

Required arguments include an object of class "water" created by define_water, applied chlorine/chloramine dose, type, reaction time, and treatment applied (options include "raw" for no treatment, or "coag" for coagulated water). The function also requires additional water quality parameters defined in define_water including TOC and UV254. The output is a new "water" class with the calculated total chlorine value stored in the 'free_chlorine' or 'combined_chlorine' slot, depending on what type of chlorine is dosed. When modeling residual concentrations through a unit process, the U.S. EPA Water Treatment Plant Model applies a correction factor based on the influent and effluent residual concentrations (see U.S. EPA (2001) equation 5-118) that may need to be applied manually by the user based on the output.

Value

chemdose_chlordecay returns an updated disinfectant residual in the free_chlorine or combined_chlorine water slot in units of M. Use convert_units to convert to mg/L.

chemdose_chlordecay_df returns a data frame containing a water class column with updated free_chlorine or combined_chlorine residuals. Optionally, it also adds columns for each of those slots individually.

Source

U.S. EPA (2001)

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

Examples

example_cl2 <- define_water(8, 20, 66, toc = 4, uv254 = 0.2) %>%
  chemdose_chlordecay(cl2_dose = 2, time = 8)

example_cl2 <- define_water(8, 20, 66, toc = 4, uv254 = 0.2, free_chlorine = 3) %>%
  chemdose_chlordecay(cl2_dose = 2, time = 8, use_chlorine_slot = TRUE)



example_df <- water_df %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  chemdose_chlordecay_df(input_water = "defined", cl2_dose = 4, time = 8)

example_df <- water_df %>%
  dplyr::mutate(
    br = 50,
    free_chlorine = 2
  ) %>%
  define_water_df() %>%
  dplyr::mutate(
    cl2_dose = seq(2, 24, 2),
    ClTime = 30
  ) %>%
  chemdose_chlordecay_df(
    time = ClTime,
    use_chlorine_slot = TRUE,
    treatment = "coag",
    cl_type = "chloramine",
    pluck_cols = TRUE
  )

Calculate DBP formation

Description

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,
  keep_dose_cols = FALSE,
  cl2 = "use_col",
  time = "use_col",
  treatment = "use_col",
  cl_type = "use_col",
  location = "use_col",
  correction = TRUE,
  coeff = NULL
)

Arguments

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.

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.

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

Examples

example_dbp <- define_water(8, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
  chemdose_dbp(cl2 = 2, time = 8)
example_dbp <- define_water(7.5, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
  chemdose_dbp(cl2 = 3, time = 168, treatment = "coag", location = "ds")


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
  )

Inorganic Oxidant Demand

Description

Calculates Cl residual from inorganic scavengers present in the input water object: Mg, Fe, and Ammonia. The output water will have updated free_chlorine slot to reflect the chlorine residual after accounting for the inorganic demand. The mn, fe, and tot_nh3 slots will be set to 0, as they are assumed to be fully oxidized by the chlorine dose. Other products of the oxidation reactions will not be tracked or updated in the output water object. For a single water use chemdose_inorgdemand; to apply the model to a dataframe use chemdose_inorgdemand_df.

By default (use_chlorine_slot = FALSE), the output free_chlorine is cl2_dose minus the inorganic demand, and any free chlorine already in the water is overwritten (with a warning). Set use_chlorine_slot = TRUE to add the existing free_chlorine slot to cl2_dose before the demand is subtracted. If cl2_dose is not specified, the existing free_chlorine slot is used (with a warning when use_chlorine_slot = FALSE). The function errors if the inorganic demand is greater than the available chlorine.

The inorganic demand of ammonia is calculated assuming all ammonia is converted to nitrogen gas, not considering the conversion of ammonia to nitrate. For chloramine chemistry, use chemdose_chloramine if interested in more precise breakpoint chlorination calculations.

Usage

chemdose_inorgdemand(water, cl2_dose, use_chlorine_slot = FALSE)

chemdose_inorgdemand_df(
  df,
  input_water = "defined",
  output_water = "oxidized",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  keep_dose_cols = FALSE,
  cl2_dose = "use_col",
  use_chlorine_slot = "use_col"
)

Arguments

Value

chemdose_inorgdemand returns a water class object with updated free_chlorine slot that reflects the chlorine residual.

chemdose_inorgdemand_df returns a data frame containing a water class column with updated free_chlorine, mn, fe, and tot_nh3 slots. Optionally, it also adds a column for free_chlorine.

Examples

water1<-define_water(ph = 7, alk = 70, mn = 1, fe = 2, tot_nh3 = 1)
cl_residual <- chemdose_inorgdemand(water1, 20)

# Use the existing free chlorine in the water
water2 <- define_water(ph = 7, alk = 70, mn = 1, fe = 2, tot_nh3 = 1, free_chlorine = 12)
cl_residual <- chemdose_inorgdemand(water2, use_chlorine_slot = TRUE)


example_df <- water_df %>%
  dplyr::mutate(mn = 20, fe = 0.5, tot_nh3 = 0.2) %>%
  define_water_df() %>%
  chemdose_inorgdemand_df(cl2_dose = 5, pluck_cols = TRUE)

example_df <- water_df %>%
  dplyr::mutate(mn = 20, fe = 0.5, tot_nh3 = 0.2) %>%
  define_water_df() %>%
  dplyr::mutate(ClDose = seq(3, 14, 1)) %>%
  chemdose_inorgdemand_df(cl2_dose = ClDose, output_water = "chlorinated")

# Use the free_chlorine already in each water instead of a dose
example_df <- water_df %>%
  dplyr::mutate(mn = 20, fe = 0.5, tot_nh3 = 0.2, free_chlorine = 4) %>%
  define_water_df() %>%
  chemdose_inorgdemand_df(use_chlorine_slot = TRUE, pluck_cols = TRUE)

Calculate new pH and ion balance after chemical addition

Description

Calculates the new pH, alkalinity, and ion balance of a water based on different chemical additions. For a single water use chemdose_ph; for a dataframe use chemdose_ph_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_ph(
  water,
  hcl = 0,
  h2so4 = 0,
  h3po4 = 0,
  hno3 = 0,
  ch3cooh = 0,
  citric = 0,
  co2 = 0,
  naoh = 0,
  caoh2 = 0,
  mgoh2 = 0,
  na2co3 = 0,
  nahco3 = 0,
  caco3 = 0,
  caso4 = 0,
  caocl2 = 0,
  cacl2 = 0,
  cl2 = 0,
  naocl = 0,
  nh4oh = 0,
  nh42so4 = 0,
  alum = 0,
  ferricchloride = 0,
  ferricsulfate = 0,
  ach = 0,
  pacl = 0,
  kmno4 = 0,
  naf = 0,
  na3po4 = 0,
  softening_correction = FALSE
)

chemdose_ph_df(
  df,
  input_water = "defined",
  output_water = "dosed_chem",
  na_to_zero = TRUE,
  pluck_cols = FALSE,
  water_prefix = TRUE,
  keep_dose_cols = FALSE,
  hcl = "use_col",
  h2so4 = "use_col",
  h3po4 = "use_col",
  hno3 = "use_col",
  ch3cooh = "use_col",
  co2 = "use_col",
  naoh = "use_col",
  na2co3 = "use_col",
  nahco3 = "use_col",
  caoh2 = "use_col",
  mgoh2 = "use_col",
  caocl2 = "use_col",
  cacl2 = "use_col",
  cl2 = "use_col",
  naocl = "use_col",
  nh4oh = "use_col",
  nh42so4 = "use_col",
  caco3 = "use_col",
  caso4 = "use_col",
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  ach = "use_col",
  pacl = "use_col",
  kmno4 = "use_col",
  naf = "use_col",
  na3po4 = "use_col",
  softening_correction = "use_col"
)

Arguments

Details

The function takes an object of class "water" created by define_water and user-specified chemical additions and returns a new object of class "water" with updated water quality. Units of all chemical additions are in mg/L as chemical (not as product).

chemdose_ph works by evaluating all the user-specified chemical additions and solving for what the new pH must be using uniroot to satisfy the principle of electroneutrality in pure water while correcting for the existing alkalinity of the water that the chemical is added to. Multiple chemicals can be added simultaneously or each addition can be modeled independently through sequential doses.

Value

chemdose_ph returns a water class object with updated pH, alkalinity, and ions post-chemical addition.

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

See Also

define_water, convert_units

Examples

water <- define_water(ph = 7, temp = 25, alk = 10)
# Dose 1 mg/L of hydrochloric acid
dosed_water <- chemdose_ph(water, hcl = 1)

# Dose 1 mg/L of hydrochloric acid and 5 mg/L of alum simultaneously
dosed_water <- chemdose_ph(water, hcl = 1, alum = 5)

# Softening:
water2 <- define_water(ph = 7, temp = 25, alk = 100, tot_hard = 350)
dosed_water2 <- chemdose_ph(water2, caco3 = -100, softening_correction = TRUE)


example_df <- water_df %>%
  define_water_df() %>%
  dplyr::slice_head(n = 3) %>%
  dplyr::mutate(
    hcl = c(2, 4, 6),
    Caustic = 20
  ) %>%
  chemdose_ph_df(input_water = "defined", mgoh2 = c(20, 55), co2 = 4, naoh = Caustic)

example_df <- water_df %>%
  define_water_df() %>%
  chemdose_ph_df(naoh = 5, pluck_cols = TRUE)

Determine TOC removal from coagulation

Description

This function applies the Edwards (1997) model to a water created by define_water to determine coagulated DOC. Reuse waters with effluent organic matter (EfOM) can be modeled by selecting one of the Wilder & Korak (2025) models with coeff. Reuse models apply only to aluminum coagulants (alum, ACH, PACl). Model assumes all particulate TOC is removed; therefore TOC = DOC in output. Coagulated UVA is from U.S. EPA (2001) equation 5-80 for Edwards (1997) model and a regression for the Wilder & Korak (2025) model. Note that the models rely on pH of coagulation. If only raw water pH is known, utilize chemdose_ph first. For a single water use chemdose_toc; for a dataframe use chemdose_toc_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_toc(
  water,
  alum = 0,
  ferricchloride = 0,
  ferricsulfate = 0,
  ach = 0,
  pacl = 0,
  coeff = "Alum",
  caoh2 = 0,
  fns = NA_real_
)

chemdose_toc_df(
  df,
  input_water = "defined",
  output_water = "coagulated",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  keep_dose_cols = FALSE,
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  ach = "use_col",
  pacl = "use_col",
  caoh2 = "use_col",
  coeff = "use_col",
  fns = "use_col"
)

Arguments

Value

chemdose_toc returns a single water class object with an updated DOC, TOC, and UV254 concentration.

chemdose_toc_df returns a data frame containing a water class column with updated DOC, TOC, and UV254 concentrations. Optionally, it also adds columns for each of those slots individually.

Source

Edwards (1997)

Wilder & Korak (2025)

U.S. EPA (2001)

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

See Also

chemdose_ph

Examples

water <- define_water(ph = 7, temp = 25, alk = 100, toc = 3.7, doc = 3.5, uv254 = .1)
dosed_water <- chemdose_ph(water, alum = 30) %>%
  chemdose_toc(alum = 30, coeff = "Alum")

dosed_water <- chemdose_ph(water, alum = 10, h2so4 = 10) %>%
  chemdose_toc(alum = 10, coeff = data.frame(
    x1 = 280, x2 = -73.9, x3 = 4.96, k1 = -0.028, k2 = 0.23, b = 0.068
  ))

dosed_reuse <- chemdose_ph(water, alum = 10, h2so4 = 10) %>%
  chemdose_toc(alum = 40, coeff = "Reuse Site Langmuir", fns = 0.6)


example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(FerricDose = seq(1, 12, 1)) %>%
  chemdose_toc_df(ferricchloride = FerricDose, coeff = "Ferric")

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(ferricchloride = seq(1, 12, 1)) %>%
  chemdose_toc_df(coeff = "Ferric", pluck_cols = TRUE)

Data frame of model coefficients for coagulation TOC removal

Description

A dataset containing coefficients from the Edwards (1997) model for coagulation TOC removal, or Wilder & Korak (2025) model for reuse waters.

Usage

chemdosetoccoeff

Format

A dataframe with 9 rows and 11 columns. Columns not used by a model are NA:

ID

Coefficient type

x3

x3 parameter

x2

x2 parameter

x1

x1 parameter

k1

k1 parameter

k2

k2 parameter

b

b parameter

fns

Fraction of non-sorbing DOC

z0

z0 parameter

z1

z1 parameter

z2

z2 parameter

Source

Edwards (1997) Table 2. Wilder & Korak (2025) Table 1.

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

Data frame of conversion factors for estimating DBP formation from chloramines

Description

A dataset containing conversion factors for calculating DBP formation

Usage

chloramine_conv

Format

A dataframe with 17 rows and 3 columns

ID

abbreviation of dbp species

alias

full name of dbp species

percent

specifies the percent of DBP formation predicted from chloramines compared to chlorine, assuming the same chlorine dose applied

Source

U.S. EPA (2001), Table 5-10

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

Data frame of Cl2 decay coefficients

Description

A dataset containing coefficients for calculating Cl2 decay

Usage

cl2coeffs

Format

A dataframe with 3 rows and 4 columns

treatment

Specifies the treatment applied to the water

a

Coefficient in chlorine decay model, associated with chlorine dose and time

b

Coefficient in chlorine decay model, associated with chlorine dose & organics

c

Exponent in chlorine decay model, associated with chlorine dose & organics

Source

U.S. EPA (2001)

Convert flow rate

Description

Given units for flow rate, convert to different units of flow rate.

Usage

convert_flow(value, startunit, endunit, sg = 1)

Arguments

Value

A numeric value for the converted flow

Examples

flow <- 40 #in MGD

convert_flow(flow, "MGD", "gpm")

Calculate unit conversions for common compounds

Description

This function takes a value and converts units based on compound name.

Usage

convert_units(value, formula = NULL, startunit = "mg/L", endunit = "M")

Arguments

Details

Mass concentrations may be expressed as CaCO3, N, P, or molecular chlorine (Cl2). Mass as CaCO3 is an equivalents basis: 1 eq of the compound = 50 g as CaCO3, so 61 mg/L HCO3 is 50 mg/L as CaCO3. Mass as N or P counts the atoms in the compound: 1 mol of (NH4)2SO4 is 28 g as N. Mass as Cl2 counts oxidizing capacity: 1 mol of NHCl2 is 2 mol as Cl2. "mg/L Cl" is treated as "mg/L Cl2".

Value

A numeric value for the converted parameter.

Examples

convert_units(50, "ca") # converts from mg/L to M by default
convert_units(50, "ca", "mg/L", "mg/L CaCO3")
convert_units(50, "ca", startunit = "mg/L", endunit = "eq/L")

Convert water class object to a dataframe

Description

This converts a water class to a dataframe with individual columns for each slot (water quality parameter) in the water. This is useful for one-off checks. For typical applications, use pluck_cols = TRUE in any ⁠_df⁠ function or pluck_water to choose relevant slots.

Use convert_water to keep all slots in the same units as the water.

Use convert_watermg to convert to more typical units. Converts all non-NA water slots with ions to mg/L, with the exception of br and mn, which are converted to ug/L. Total silicate is converted to mg/L as SiO2, and citrate species are converted to mg/L as citric acid, matching the define_water inputs. All other values remain unchanged.

The ks slot (a data frame of corrected equilibrium constants) is not included in the output. Access it directly with water@ks.

Usage

convert_water(water)

convert_watermg(water)

Arguments

Value

A data frame containing columns for all non-NA water slots, except ks.

A data frame containing columns for all non-NA water slots with ions in mg/L.

Examples

# Generates 1 row dataframe
example_df <- define_water(ph = 7, temp = 20, alk = 100) %>%
  convert_water()

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(to_dataframe = purrr::map(defined, convert_water)) %>%
  tidyr::unnest(to_dataframe) %>%
  dplyr::select(-defined)

water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10, tot_po4 = 1) %>%
  convert_watermg()

Correct acid dissociation constants

Description

This function calculates the corrected equilibrium constant for temperature and ionic strength

Usage

correct_k(water)

Arguments

Value

A dataframe with equilibrium constants for co3, po4, so4, ocl, and nh4.

Examples

water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10, tot_po4 = 1)
correct_k(water_defined)

Data frame of correction factors for estimating DBP formation as a function of location

Description

A dataset containing correction factors for calculating DBP formation

Usage

dbp_correction

Format

A dataframe with 17 rows and 4 columns

ID

abbreviation of dbp species

alias

full name of dbp species

plant

specifies the correction factor for modelling DBP formation within a treatment plant

ds

specifies the correction factor for modelling DBP formation within the distribution system

Source

U.S. EPA (2001), Table 5-7

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

Data frame of DBP coefficients for predicting DBP formation

Description

A dataset containing coefficients for calculating DBP formation

Usage

dbpcoeffs

Format

A dataframe with 30 rows and 10 columns

ID

abbreviation of dbp species

alias

full name of dbp species

water_type

specifies which model the constants apply to, either treated or untreated water

A

First coefficient in DBP model

a

Second coefficient in DBP model, associated with TOC or DOC

b

Third coefficient in DBP model, associated with Cl2

c

Fourth coefficient in DBP model, associated with Br-

d

Fifth coefficient in DBP model, associated with temperature

e

Sixth coefficient in DBP model, associated with pH

f

Seventh coefficient in DBP model, associated with reaction time

Source

U.S. EPA (2001)

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

Apply decarbonation to a water

Description

Calculates the new water quality (pH, alkalinity, etc) after a specified amount of CO2 is removed (removed as bicarbonate). The function takes an object of class "water" and a fraction of CO2 removed, then returns a water class object with updated water slots. For a single water, use decarbonate_ph; to apply the model to a dataframe, use decarbonate_ph_df. For a single water use chemdose_toc; for a dataframe use chemdose_toc_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

decarbonate_ph(water, co2_removed)

decarbonate_ph_df(
  df,
  input_water = "defined",
  output_water = "decarbonated",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  co2_removed = "use_col"
)

Arguments

Details

decarbonate_ph uses water@h2co3 to determine the existing CO2 in water, then applies chemdose_ph to match the CO2 removal.

Value

A water with updated pH/alk/etc.

decarbonate_ph_df returns a data frame containing a water class column with updated ph and alk (and pH dependent ions). Optionally, it also adds columns for each of those slots individually.

See Also

chemdose_ph

Examples

water <- define_water(ph = 4, temp = 25, alk = 5) %>%
  decarbonate_ph(co2_removed = .95)


example_df <- water_df %>%
  define_water_df() %>%
  decarbonate_ph_df(
    input_water = "defined", output_water = "decarb",
    co2_removed = .95, pluck_cols = TRUE
  )

Create a chemical class object given a chemical's parameters

Description

Creates an S4 chemical class object that stores a chemical's formula, dose, strength, dose units, hydration, cost, and solids formula.

Usage

define_chemical(
  formula,
  dose = 0,
  strength = 100,
  dose_unit = "mg/L as chemical",
  hydration = NA_real_,
  cost = NA_real_,
  solids_formula = NA_character_
)

Arguments

Value

An S4 chemical class object with user defined parameters.

Examples

naoh_50p <- define_chemical(formula="naoh",dose=12, strength = 50, dose_unit = "M")

Create a water class object given water quality parameters

Description

This function takes user-defined water quality parameters and creates an S4 "water" class object that forms the input and output of all tidywater models.

This function allows define_water to be added to a piped data frame. Its output is a water class, and can therefore be chained with "downstream" tidywater functions.

Usage

define_water(
  ph,
  temp = 25,
  alk,
  tot_hard,
  ca,
  mg,
  na,
  k,
  cl,
  so4,
  mno4,
  free_chlorine = 0,
  combined_chlorine = 0,
  tot_po4 = 0,
  tot_nh3 = 0,
  tot_ch3coo = 0,
  tot_bo4 = 0,
  tot_citric = 0,
  tot_sio4 = 0,
  tds,
  cond,
  toc,
  doc,
  uv254,
  br,
  f,
  fe,
  al,
  mn,
  no3,
  no2
)

define_water_df(
  df,
  output_water = "defined",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  ph = "use_col",
  temp = "use_col",
  alk = "use_col",
  tot_hard = "use_col",
  ca = "use_col",
  mg = "use_col",
  na = "use_col",
  k = "use_col",
  cl = "use_col",
  so4 = "use_col",
  mno4 = "use_col",
  free_chlorine = "use_col",
  combined_chlorine = "use_col",
  tot_po4 = "use_col",
  tot_nh3 = "use_col",
  tot_bo4 = "use_col",
  tot_sio4 = "use_col",
  tot_ch3coo = "use_col",
  tot_citric = "use_col",
  tds = "use_col",
  cond = "use_col",
  toc = "use_col",
  doc = "use_col",
  uv254 = "use_col",
  br = "use_col",
  f = "use_col",
  fe = "use_col",
  al = "use_col",
  mn = "use_col",
  no3 = "use_col",
  no2 = "use_col"
)

Arguments

Details

Carbonate balance is calculated and units are converted to mol/L. Ionic strength is determined from ions, TDS, or conductivity. Missing values are handled by defaulting to 0 or NA. Calcium defaults to 65 percent of the total hardness when not specified. DOC defaults to 95 percent of TOC. If alk is less than the non-carbonate alkalinity at the given pH (for example, hydroxide alone at high pH), carbonate species are set to 0 with a warning.

Value

define_water outputs a water class object where slots are filled or calculated based on input parameters. Water slots have different units than those input into the define_water function, as listed below.

ph

pH, numeric, in standard units (SU).

temp

temperature, numeric, in °C.

alk

alkalinity, numeric, mg/L as CaCO3.

tds

total dissolved solids, numeric, mg/L.

cond

electrical conductivity, numeric, uS/cm.

tot_hard

total hardness, numeric, mg/L as CaCO3.

kw

dissociation constant for water, numeric, unitless.

alk_eq

total alkalinity as equivalents, numeric, equivalent (eq).

carbonate_alk_eq

carbonate alkalinity as equivalents, numeric, equivalent (eq).

phosphate_alk_eq

phosphate alkalinity as equivalents, numeric, equivalent (eq).

ammonium_alk_eq

ammonium alkalinity as equivalents, numeric, equivalent (eq).

borate_alk_eq

borate alkalinity as equivalents, numeric, equivalent (eq).

silicate_alk_eq

silicate alkalinity as equivalents, numeric, equivalent (eq).

hypochlorite_alk_eq

hypochlorite alkalinity as equivalents, numeric, equivalent (eq).

citric_alk_eq

citrate alkalinity as equivalents, numeric, equivalent (eq).

toc

total organic carbon, numeric, mg/L.

doc

dissolved organic carbon, numeric, mg/L.

bdoc

biodegradable organic carbon, numeric, mg/L.

uv254

light absorption at 254 nm, numeric, cm-1.

dic

dissolved inorganic carbon, numeric, mg/L as C.

is

ionic strength, numeric, mol/L.

na

sodium, numeric, mols/L.

ca

calcium, numeric, mols/L.

mg

magnesium, numeric, mols/L.

k

potassium, numeric, mols/L.

cl

chloride, numeric, mols/L.

so4

sulfate, numeric, mols/L.

mno4

permanganate, numeric, mols/L.

no3

nitrate, numeric, mols/L.

no2

nitrite, numeric, mols/L.

h2co3

carbonic acid (H2CO3*, the sum of dissolved CO2 and H2CO3), numeric, mols/L.

co2

dissolved carbon dioxide (H2CO3*, calculated from h2co3), numeric, mg/L as CO2.

hco3

bicarbonate, numeric, mols/L.

co3

carbonate, numeric, mols/L.

h2po4

dihydrogen phosphate, numeric, mols/L.

hpo4

hydrogen phosphate, numeric, mols/L.

po4

phosphate, numeric, mols/L.

h2citric

dihydrogen citrate, numeric, mols/L.

h1citric

hydrogen citrate, numeric, mols/L.

citric

citrate ion, numeric, mols/L.

nh4

ammonium, numeric, mol/L as N.

h4bo4

borate, numeric, mol/L.

h3bo3

boric acid, numeric, mol/L.

h3sio4

trihydrogen silicate, numeric, mol/L.

h2sio4

dihydrogen silicate, numeric, mol/L.

ch3coo

acetate, numeric, mol/L.

h

hydrogen ion, numeric, mol/L.

oh

hydroxide ion, numeric, mol/L.

tot_po4

total phosphate, numeric, mol/L.

tot_nh3

total ammonia, numeric, mol/L.

tot_co3

total carbonate, numeric, mol/L.

tot_bo4

total borate, numeric, mol/L.

tot_sio4

total silicate, numeric, mol/L.

tot_ch3coo

total acetate, numeric, mol/L.

tot_citric

total citric acid, numeric, mol/L.

br

bromide, numeric, mol/L.

bro3

bromate, numeric, mol/L.

f

fluoride, numeric, mol/L.

fe

iron, numeric, mol/L.

al

aluminum, numeric, mol/L.

mn

manganese, numeric, mol/L.

free_chlorine

free chlorine, numeric, mol/L.

ocl

hypochlorite ion, numeric, mol/L.

combined_chlorine

sum of chloramines, numeric, mol/L.

nh2cl

monochloramine, numeric, mol/L.

nhcl2

dichloramine, numeric, mol/L.

ncl3

trichloramine, numeric, mol/L.

estimated

list of parameters that were estimated based on other inputs.

ks

data frame with corrected equilibrium constants given defined water initial temperature and ionic strength

chcl3

chloroform, numeric, ug/L.

chcl2br

bromodichloromethane, numeric, ug/L.

chbr2cl

dibromodichloromethane, numeric, ug/L.

chbr3

bromoform, numeric, ug/L.

tthm

total trihalomethanes, numeric, ug/L.

mcaa

chloroacetic acid, numeric, ug/L.

dcaa

dichloroacetic acid, numeric, ug/L.

tcaa

trichloroacetic acid, numeric, ug/L.

mbaa

bromoacetic acid, numeric, ug/L.

dbaa

dibromoacetic acid, numeric, ug/L.

haa5

sum of haloacetic acids, numeric, ug/L.

bcaa

bromochloroacetic acid, numeric, ug/L.

cdbaa

chlorodibromoacetic acid, numeric, ug/L.

dcbaa

dichlorobromoacetic acid, numeric, ug/L.

tbaa

tribromoacetic acid, numeric, ug/L.

A data frame containing a water class column.

Source

Crittenden et al. (2012) equation 5-38 - ionic strength from TDS

Snoeyink & Jenkins (1980) - ionic strength from conductivity

Lewis and Randall (1921), Crittenden et al. (2012) equation 5-37 - ionic strength from ion concentrations

Harned and Owen (1958), Crittenden et al. (2012) equation 5-45 - Temperature correction of dielectric constant (relative permittivity)

See Also

define_water

Examples

water_missingions <- define_water(ph = 7, temp = 15, alk = 100, tds = 10)
water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10, tot_po4 = 1)


example_df <- water_df %>%
  define_water_df() %>%
  balance_ions_df()

example_df <- water_df %>%
  define_water_df(output_water = "This is a column of water") %>%
  balance_ions_df(input_water = "This is a column of water")

Dissociation constants and standard enthalpy for weak acids/bases

Description

Equilibrium constants (k) and corresponding standard enthalpy of reaction values (deltah) for significant acids in water influencing pH at equilibrium. Includes carbonate, sulfate, phosphate, and hypochlorite. Standard enthalpy of reaction is calculated by taking the sum of the enthalpy of formation of each individual component minus the enthalpy of formation of the final product. e.g., the standard enthalpy of reaction for water can be calculated as: deltah_h2o = deltah_f_oh + deltah_f_h - deltah_f_h2o = -230 + 0 - (-285.83) = 55.83 kJ/mol. See MWH (2012) example 5-5 and Benjamin (2002) eq. 2.96.

Usage

discons

Format

A dataframe with 8 rows and 3 columns

ID

Coefficient type

k

Equilibrium constant

deltah

Standard enthalpy in J/mol

Source

Benjamin (2015) Appendix A.1 and A.2.

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

Calculate Dissolved Copper Concentration

Description

This function takes a water defined by defined_water and output a column of dissolved copper. It is an empirical model developed based on bench-scale copper solubility testing that can be used to predict copper levels as a function of pH, DIC, and orthophosphate. For a single water, use dissolve_cu; to apply the model to a dataframe use dissolve_cu_df.

Usage

dissolve_cu(water)

Arguments

Details

Dissolved copper is a function of pH, DIC (mg/L as C), and orthophosphate (mg/L as PO4). Output units are in mg/L. The model was fit on waters with pH 6.48 to 8.52, orthophosphate 0.2 to 3.1 mg/L as PO4, and DIC of 10, 50, and 100 mg/L as C (Lytle et al. 2018, equation 1); a warning is given for inputs outside these ranges.

DIC is not an input: define_water calculates it from pH and alkalinity. Lytle et al. (2018) give no alkalinity range, and the alkalinity that corresponds to a given DIC depends on pH. At 25 C, the 10 to 100 mg/L as C DIC range is roughly 24 to 244 mg/L as CaCO3 alkalinity at pH 6.5, 34 to 340 at pH 7, 39 to 390 at pH 7.5, and 41 to 410 at pH 8.

Value

dissolve_cu returns a column containing dissolved copper concentration in mg/L.

Source

Lytle et al (2018)

Examples

example_cu <- define_water(ph = 7.5, alk = 125, tot_po4 = 2) %>%
  dissolve_cu()

Calculate Dissolved Copper Concentration

Description

Calculate Dissolved Copper Concentration

Usage

dissolve_cu_df(df, input_water = "defined", water_prefix = TRUE)

Arguments

Value

dissolve_cu_df returns a data frame containing the original data frame and a column for dissolved copper in mg/L.

Examples

cu_calc <- water_df %>%
  define_water_df() %>%
  dissolve_cu_df()

Simulate contributions of various lead solids to total soluble lead

Description

This function takes a water data frame defined by define_water and outputs a dataframe of the controlling lead solid and total lead solubility. Lead solid solubility is calculated based on controlling solid. Total dissolved lead species (tot_dissolved_pb, M) are calculated based on lead complex calculations. For a single water, use dissolve_pb; to apply the model to a dataframe, use dissolve_pb_df. For most arguments, the ⁠_df⁠ "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

dissolve_pb(
  water,
  hydroxypyromorphite = "Schock",
  pyromorphite = "Topolska",
  laurionite = "Nasanen"
)

dissolve_pb_df(
  df,
  input_water = "defined",
  output_col_solid = "controlling_solid",
  output_col_result = "pb",
  hydroxypyromorphite = "Schock",
  pyromorphite = "Topolska",
  laurionite = "Nasanen",
  water_prefix = TRUE
)

Arguments

Details

The solid with lowest solubility will form the lead scale (controlling lead solid). Some lead solids have two k-constant options. The function will default to the EPA's default constants. The user may change the constants to hydroxypyromorphite = "Zhu" or pyromorphite = "Xie" or laurionite = "Lothenbach"

Make sure that total dissolved solids, conductivity, or ca, na, cl, so4 are used in define_water so that an ionic strength is calculated.

Value

dissolve_pb returns a one row data frame containing only the controlling lead solid and modeled dissolved lead concentration.

dissolve_pb_df returns a data frame containing the controlling lead solid and modeled dissolved lead concentration as new columns.

Source

Code is from EPA's TELSS lead solubility dashboard https://github.com/USEPA/TELSS which is licensed under MIT License: Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

Wahman et al. (2021)

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

Examples

example_pb <- define_water(
  ph = 7.5, temp = 25, alk = 93, cl = 240,
  tot_po4 = 0, so4 = 150, tds = 200
) %>%
  dissolve_pb()
example_pb <- define_water(
  ph = 7.5, temp = 25, alk = 93, cl = 240,
  tot_po4 = 0, so4 = 150, tds = 200
) %>%
  dissolve_pb(pyromorphite = "Xie")


example_df <- water_df %>%
  define_water_df() %>%
  dissolve_pb_df(output_col_result = "dissolved_lead", pyromorphite = "Xie")

Calculate TOC Concentration in GAC system

Description

Calculates TOC concentration after passing through GAC treatment according to the model developed in "Modeling TOC Breakthrough in Granular Activated Carbon Adsorbers" by Zachman and Summers (2010), or the logistics curve approach in EPA WTP Model v. 2.0 Manual (2001). For a single water use gac_toc; for a dataframe use gac_toc_df. Use pluck_water 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.

Water must contain a DOC value (or TOC, from which define_water estimates DOC).

Usage

gac_toc(
  water,
  ebct = 10,
  model = "Zachman",
  media_size = "12x40",
  bed_vol,
  pretreat = "coag"
)

gac_toc_df(
  df,
  input_water = "defined",
  output_water = "gaced",
  model = "use_col",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  media_size = "use_col",
  ebct = "use_col",
  bed_vol = "use_col",
  pretreat = "use_col"
)

Arguments

Details

GAC model for TOC removal

The function will calculate DOC concentration by GAC adsorption in drinking water treatment. Both models were published in terms of TOC. GAC influent is normally coagulated and filtered, so particulate organic carbon is negligible and TOC = DOC; tidywater therefore applies the models to influent DOC. Effluent TOC is set equal to effluent DOC. UV254 concentrations are predicted based on a linear relationship with DOC from WTP Model Equation 5-93 and 5-94.

Value

gac_toc returns a water class object with updated DOC, TOC, and UV254 slots.

gac_toc_df returns a data frame containing a water class column with updated DOC, TOC, and UV254 slots

Source

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

Zachman and Summers (2010)

U.S. EPA (2001)

Examples

water <- define_water(ph = 8, toc = 2.5, uv254 = .05, doc = 1.5) %>%
  gac_toc(media_size = "8x30", ebct = 20, model = "Zachman", bed_vol = 15000)


example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(
    model = "WTP",
    media_size = "8x30",
    ebct = 10,
    bed_vol = rep(c(12000, 15000, 18000), 4)
  ) %>%
  gac_toc_df()

example_df <- water_df %>%
  define_water_df("raw") %>%
  dplyr::mutate(
    model = "WTP",
    bed_vol = 15000
  ) %>%
  gac_toc_df(input_water = "raw")

Calculate maximum bed volumes to stay below target DOC

Description

Calculates GAC filter bed volumes to achieve target effluent DOC according to the model developed in "Modeling TOC Breakthrough in Granular Activated Carbon Adsorbers" by Zachman and Summers (2010), or the USEPA WTP Model v. 2.0 Manual (2001). For a single water use gacbv_toc; for a dataframe use gacbv_toc_df. 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.

Water must contain a DOC value (or TOC, from which define_water estimates DOC).

Usage

gacbv_toc(
  water,
  ebct = 10,
  model = "Zachman",
  media_size = "12x40",
  target_doc
)

gacbv_toc_df(
  df,
  input_water = "defined",
  model = "use_col",
  media_size = "use_col",
  ebct = "use_col",
  target_doc = "use_col",
  water_prefix = TRUE
)

Arguments

Details

GAC model for TOC removal

The function will calculate bed volume required to achieve given target DOC values. Both models were published in terms of TOC. GAC influent is normally coagulated and filtered, so particulate organic carbon is negligible and TOC = DOC; tidywater therefore applies the models to influent DOC.

Value

gacbv_toc returns a data frame of bed volumes that achieve the target DOC.

gacbv_toc_df returns a data frame with columns for bed volumes.

Source

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

Zachman and Summers (2010)

USEPA (2001)

Examples

water <- define_water(ph = 8, toc = 2.5, uv254 = .05, doc = 1.5)
bed_volume <- gacbv_toc(water, media_size = "8x30", ebct = 20, model = "Zachman", target_doc = 0.8)


library(dplyr)

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(
    model = "WTP",
    media_size = "8x30",
    ebct = 10,
    target_doc = rep(c(0.5, 0.8, 1), 4)
  ) %>%
  gacbv_toc_df()

Calculate TOC Concentration in GAC system

Description

Returns a data frame with a breakthrough curve based on the DOC concentration after passing through GAC treatment, according to the model developed in "Modeling TOC Breakthrough in Granular Activated Carbon Adsorbers" by Zachman and Summers (2010), or the USEPA WTP Model v. 2.0 Manual (2001).

Water must contain a DOC value (or TOC, from which define_water estimates DOC).

Usage

gacrun_toc(
  water,
  ebct = 10,
  model = "Zachman",
  media_size = "12x40",
  bvs = c(2000, 20000, 100)
)

gacrun_toc_df(
  df,
  input_water = "defined",
  water_prefix = TRUE,
  ebct = "use_col",
  model = "use_col",
  media_size = "use_col",
  bvs = "use_col"
)

Arguments

Details

GAC model for TOC removal

The function will calculate bed volumes and normalized DOC breakthrough (DOCeff/DOCinf) given model type. Both models were developed using data sets from bench-scale GAC treatment studies using bituminous GAC and EBCTs of either 10 or 20 minutes. The specific mesh sizes used to develop the Zachman and Summers model were 12x40 or 8x30. The models were also developed using influent pH and DOC between specific ranges. Refer to the papers included in the references for more details. Both models were published in terms of TOC. GAC influent is normally coagulated and filtered, so particulate organic carbon is negligible and TOC = DOC; tidywater therefore applies the models to influent DOC.

Value

gacrun_toc returns a data frame with bed volumes and normalized breakthrough DOC values (x_norm, DOCeff/DOCinf).

gacrun_toc_df returns a data frame containing columns of the breakthrough curve (breakthrough and bed volume).

Source

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

Zachman and Summers (2010)

USEPA (2001)

Examples

water <- define_water(ph = 8, toc = 2.5, uv254 = .05, doc = 1.5) %>%
  gacrun_toc(media_size = "8x30", ebct = 20, model = "Zachman")


example_df <- water_df %>%
  define_water_df() %>%
  gacrun_toc_df()

Data frame of equilibrium constants for lead and copper solubility

Description

A dataset containing equilibrium constants for lead solubility

Usage

leadsol_constants

Format

A dataframe with 38 rows and 3 columns

Solids:

species_name

Name of lead solid or complex with possible _letter to cite different references

constant_name

Reference ID for constants

log_value

Equilibrium constant log value

source

Source for equilibrium constant value

Source

Benjamin (2010)

Lothenbach et al. (1999)

Nasanen & Lindell (1976)

Powell et al. (2009)

Powell et al. (2005)

Schock et al. (1996)

Topolska et al. (2016)

Xie & Giammar (2007)

Zhu et al. (2015)

Wahman et al. (2021)

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

Modify slots in a water class object

Description

This function modifies selected slots of a water class object without impacting the other parameters. For example, you can manually update "tthm" and the new speciation will not be calculated. This function is designed to make sure all parameters are stored in the correct units when manually updating a water. Some slots cannot be modified with this function because they are interconnected with too many others (usually pH dependent, eg, hco3). For those parameters, update define_water.

Usage

modify_water(water, slot, value, units)

modify_water_df(
  df,
  input_water = "defined",
  output_water = "modified",
  slot = "use_col",
  value = "use_col",
  units = "use_col"
)

Arguments

Details

In modify_water_df, slot, value, and units can each be a constant, an unquoted column name, or left as "use_col" to read a column of the same name ("slot", "value", "units"). Constants are applied to every row as given, so slot = c("br", "na"), value = c(50, 60), units = c("ug/L", "mg/L") sets both slots on each water. Unlike other ⁠_df⁠ functions, vector constants are not expanded into one row per combination. Columns are read row by row.

Value

A data frame containing columns of selected parameters from a list of water class objects.

modify_water_df returns a data frame containing a water class column with updated slot

Examples

water1 <- define_water(ph = 7, alk = 100, tds = 100, toc = 5) %>%
  modify_water(slot = "toc", value = 4, units = "mg/L")

water2 <- define_water(ph = 7, alk = 100, tds = 100, toc = 5, ca = 10) %>%
  modify_water(slot = c("ca", "toc"), value = c(20, 10), units = c("mg/L", "mg/L"))


example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(bromide = 50) %>%
  modify_water_df(slot = "br", value = bromide, units = "ug/L")

example_df <- water_df %>%
  define_water_df() %>%
  modify_water_df(
    slot = c("br", "na"),
    value = c(50, 60),
    units = c("ug/L", "mg/L")
  )

Molar weights of relevant compounds

Description

A dataset containing the molar weights of several compounds in g/mol. Column names are lowercase chemical formulas (with no charge), with the exception of the following coagulants: alum = Al2(SO4)314H2O, ferricchloride = FeCl3, ferricsulfate = Fe2(SO4)38.8H2O,

Usage

mweights

Format

A dataframe with one row and one column per compound

Calculate pH for water in an open system

Description

Calculates the new water quality (pH, alkalinity, pH dependent ions) for a water in an open system where CO2(aq) is at equilibrium with atmospheric CO2. The function takes an object of class "water" and the partial pressure of CO2, then returns a water class object with updated water slots. For a single water, use opensys_ph; to apply the model to a dataframe, use opensys_ph_df. For most arguments, 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

opensys_ph(water, partialpressure = 10^-3.42)

opensys_ph_df(
  df,
  input_water = "defined",
  output_water = "opensys",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  partialpressure = "use_col"
)

Arguments

Details

opensys_ph uses the equilibrium concentration of CO2(aq) to determine the concentrations of carbonate species in the water and the pH by solving for the CO2 dose that results in a H2CO3 concentration equal to CO2(aq).

Value

A water with updated pH/alk/etc.

opensys_ph_df returns a data frame containing a water class column with updated ph and alk (and pH dependent ions). Optionally, it also adds columns for each of those slots individually.

See Also

chemdose_ph

Examples

water <- define_water(ph = 7, temp = 25, alk = 5) %>%
  opensys_ph()


example_df <- water_df %>%
  define_water_df() %>%
  opensys_ph_df(
    input_water = "defined", output_water = "opensys",
    partialpressure = 10^-4, pluck_cols = TRUE
  )

Calculate bromate formation

Description

Calculates bromate (BrO3-, ug/L) formation based on selected model. Required arguments include an object of class "water" created by define_water ozone dose, reaction time, and desired model. The function also requires additional water quality parameters defined in define_water including bromide, DOC or UV254 (depending on the model), pH, alkalinity (depending on the model), and optionally, ammonia (added when defining water using the tot_nh3 argument.) For a single water use ozonate_bromate; for a dataframe use ozonate_bromate_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

ozonate_bromate(water, dose, time, model = "Ozekin")

ozonate_bromate_df(
  df,
  input_water = "defined",
  output_water = "ozonated",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  dose = "use_col",
  time = "use_col",
  model = "use_col"
)

Arguments

Value

ozonate_bromate returns a single water class object with calculated bromate (ug/L).

ozonate_bromate_df returns a data frame containing a water class column with updated bro3 concentration. Optionally, it also adds columns for each of those slots individually.

Source

Ozekin (1994), Sohn et al (2004), Song et al (1996), Galey et al (1997), Siddiqui et al (1994)

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

Examples

example_dbp <- define_water(8, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
  ozonate_bromate(dose = 1.5, time = 5, model = "Ozekin")
example_dbp <- define_water(7.5, 20, 66, toc = 4, uv254 = .2, br = 50) %>%
  ozonate_bromate(dose = 3, time = 15, model = "Sohn")


example_df <- water_df %>%
  dplyr::slice_head(n = 6) %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  dplyr::mutate(
    dose = c(seq(.5, 3, .5)),
    OzoneTime = 30
  ) %>%
  ozonate_bromate_df(time = OzoneTime, model = "Sohn", pluck_cols = TRUE)

Calculate DOC Concentration in PAC system

Description

Calculates DOC concentration multiple linear regression model found in 2-METHYLISOBORNEOL AND NATURAL ORGANIC MATTER ADSORPTION BY POWDERED ACTIVATED CARBON by HYUKJIN CHO (2007). Assumes all particulate TOC is removed when PAC is removed; therefore TOC = DOC in output. For a single water use pac_toc; for a dataframe use pac_toc_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.

water must contain DOC or TOC value.

Usage

pac_toc(water, dose, time, type = "bituminous")

pac_toc_df(
  df,
  input_water = "defined",
  output_water = "paced",
  pluck_cols = FALSE,
  water_prefix = TRUE,
  dose = "use_col",
  time = "use_col",
  type = "use_col"
)

Arguments

Details

The function will calculate DOC concentration by PAC adsorption in drinking water treatment. UV254 concentrations are predicted based on a linear relationship with DOC, and are set to 0 when that relationship gives a negative value. For waters with DOC below 1.3 mg/L, the model is applied with the same percent removal as a 1.3 mg/L water. With a dose or time of 0, the input water is returned unchanged.

Value

pac_toc returns a water class object with updated DOC, TOC, and UV254 slots.

pac_toc_df returns a data frame containing a water class column with updated DOC, TOC, and UV254 concentrations. Optionally, it also adds columns for each of those slots individually.

Source

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

CHO(2007)

Examples

water <- define_water(toc = 2.5, uv254 = .05, doc = 1.5) %>%
  pac_toc(dose = 15, time = 50, type = "wood")


example_df <- water_df %>%
  define_water_df("raw") %>%
  dplyr::mutate(dose = seq(11, 22, 1), PACTime = 30) %>%
  pac_toc_df(input_water = "raw", time = PACTime, type = "wood", pluck_cols = TRUE)

Data frame of PAC TOC model coefficients

Description

A dataset containing coefficients for calculating PAC TOC removal

Usage

pactoccoeffs

Format

A dataframe with 4 rows and 3 columns

pactype

Specifies PAC type

A

Constant in the PAC model

a

Coefficient in PAC model, associated with DOC0

b

Coefficient in PAC model, associated with dose

c

Coefficient in PAC model, associated with time

Source

Cho (2007)

Create summary plot of ions from water class

Description

This function takes a water data frame defined by define_water and outputs an ion balance plot.

Usage

plot_ions(water)

Arguments

Value

A ggplot object displaying the water's ion balance.

Examples

water <- define_water(7, 20, 50, 100, 20, 10, 10, 10, 10, tot_po4 = 1)
plot_ions(water)

Create dissolved lead and DIC contour plot given input data frame

Description

This function takes a data frame and outputs a contour plot of dissolved lead and DIC plot. Assumes that the range of pH and dissolved inorganic carbon (DIC) occurs at a single temperature and TDS.

Usage

plot_lead(df, temp, tds, ph_range, dic_range)

Arguments

Value

A ggplot object displaying a contour plot of dissolved lead, pH, and DIC

Examples

historical <- data.frame(
  ph = c(7.7, 7.86, 8.31, 7.58, 7.9, 8.06, 7.95, 8.02, 7.93, 7.61),
  dic = c(
    14.86, 16.41, 16.48, 16.63, 16.86, 16.94, 17.05, 17.23,
    17.33, 17.34
  ),
  temp = 25,
  tds = 200
)
plot_lead(historical)

Pluck out a single parameter from a water class object

Description

This function plucks one or more selected parameters from selected columns of water class objects. The names of the output columns will follow the form water_parameter

Usage

pluck_water(df, input_waters = c("defined"), parameter)

Arguments

Value

A data frame containing columns of selected parameters from a list of water class objects.

See Also

convert_water

Examples

pluck_example <- water_df %>%
  define_water_df("raw") %>%
  pluck_water(input_waters = c("raw"), parameter = c("hco3", "doc"))

Determine if TOC removal meets Stage 1 DBP Rule requirements

Description

This function takes raw water alkalinity, raw water TOC, and finished water TOC. It then calculates the TOC removal percentage and checks compliance with the Stage 1 DBP Rule.

Usage

regulate_toc(
  alk_raw,
  toc_raw,
  toc_finished,
  raw_water,
  treated_water,
  skip_alternate = FALSE
)

regulate_toc_df(
  df,
  alk_raw = "use_col",
  toc_raw = "use_col",
  toc_finished = "use_col",
  input_raw_water = "defined",
  input_treated_water = "treated",
  skip_alternate = FALSE
)

Arguments

Details

The function prints the input parameters and the calculated removal percentage for TOC. It checks compliance with regulations considering the raw TOC, alkalinity, and removal percentage. It outputs a dataframe that contains the compliance status as a boolean, calculated removal precent as a numeric, and a comment that indicates internal reasoning for compliance status.

Value

A data frame containing the TOC removal compliance status, and a comment with the reasoning for the compliance status.

A data frame with compliance status, removal percent, and optional note columns.

Examples

regulate_toc(alk_raw=50, toc_raw=5, toc_finished=2)

water1 <- define_water(alk = 70, toc = 4)
water2 <- define_water(toc = 2.5)
regulate_toc(raw_water = water1, treated_water = water2)

regulate_toc(raw_water = define_water(alk = 50, toc = 5), 
treated_water = define_water(toc = 2), skip_alternate = TRUE)


regulated <- water_df %>%
  dplyr::select(toc_raw = toc, alk_raw = alk) %>%
  regulate_toc_df(toc_finished = seq(2, 4, 0.1))

regulated <- water_df %>%
  define_water_df() %>%
  chemdose_ph_df(alum = 30, output_water = "dosed") %>%
  chemdose_toc_df("dosed") %>%
  pluck_water(c("coagulated", "defined"), c("toc", "alk")) %>%
  dplyr::select(toc_finished = coagulated_toc, toc_raw = defined_toc, alk_raw = defined_alk) %>%
  regulate_toc_df()

water1<-water_df |> 
 define_water_df() |> 
 chemdose_toc_df(output_water= "dosed", alum=20) |> 
 regulate_toc_df(input_raw_water = "defined", input_treated_water= "dosed")
 

Functions renamed in tidywater 0.10.0

Description

tidywater 0.10.0 renamed several helper functions to simplify naming and match tidyverse conventions

• ⁠_chain⁠ -> ⁠_df⁠

• For functions that return a water: ⁠_once⁠ -> ⁠_df(pluck_cols = TRUE)⁠

• For functions with numeric outputs: ⁠_once⁠ -> ⁠_df()⁠

Usage

balance_ions_chain(
  df,
  input_water = "defined_water",
  output_water = "balanced_water",
  anion = "cl",
  cation = "na"
)

biofilter_toc_chain(
  df,
  input_water = "defined_water",
  output_water = "biofiltered_water",
  ebct = "use_col",
  ozonated = "use_col"
)

blend_waters_chain(df, waters, ratios, output_water = "blended_water")

chemdose_chloramine_chain(
  df,
  input_water = "defined_water",
  output_water = "chlorinated_water",
  time = "use_col",
  cl2 = "use_col",
  nh3 = "use_col",
  use_free_cl_slot = "use_col",
  use_tot_nh3_slot = "use_col"
)

chemdose_chlordecay_chain(
  df,
  input_water = "defined_water",
  output_water = "disinfected_water",
  cl2_dose = "use_col",
  time = "use_col",
  treatment = "use_col",
  cl_type = "use_col",
  use_chlorine_slot = "use_col"
)

chemdose_dbp_chain(
  df,
  input_water = "defined_water",
  output_water = "disinfected_water",
  cl2 = "use_col",
  time = "use_col",
  treatment = "use_col",
  cl_type = "use_col",
  location = "use_col",
  correction = TRUE,
  coeff = NULL
)

chemdose_ph_chain(
  df,
  input_water = "defined_water",
  output_water = "dosed_chem_water",
  hcl = "use_col",
  h2so4 = "use_col",
  h3po4 = "use_col",
  hno3 = "use_col",
  co2 = "use_col",
  naoh = "use_col",
  na2co3 = "use_col",
  nahco3 = "use_col",
  caoh2 = "use_col",
  mgoh2 = "use_col",
  caocl2 = "use_col",
  cacl2 = "use_col",
  cl2 = "use_col",
  naocl = "use_col",
  nh4oh = "use_col",
  nh42so4 = "use_col",
  caco3 = "use_col",
  caso4 = "use_col",
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  ach = "use_col",
  kmno4 = "use_col",
  naf = "use_col",
  na3po4 = "use_col",
  softening_correction = "use_col",
  na_to_zero = TRUE
)

chemdose_toc_chain(
  df,
  input_water = "defined_water",
  output_water = "coagulated_water",
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  coeff = "use_col"
)

define_water_chain(df, output_water = "defined_water")

decarbonate_ph_chain(
  df,
  input_water = "defined_water",
  output_water = "decarbonated_water",
  co2_removed = "use_col"
)

modify_water_chain(
  df,
  input_water = "defined_water",
  output_water = "modified_water",
  slot = "use_col",
  value = "use_col",
  units = "use_col"
)

ozonate_bromate_chain(
  df,
  input_water = "defined_water",
  output_water = "ozonated_water",
  dose = "use_col",
  time = "use_col",
  model = "use_col"
)

pac_toc_chain(
  df,
  input_water = "defined_water",
  output_water = "pac_water",
  dose = "use_col",
  time = "use_col",
  type = "use_col"
)

calculate_corrosion_once(
  df,
  input_water = "defined_water",
  index = c("aggressive", "ryznar", "langelier", "ccpp", "larsonskold", "csmr"),
  form = "calcite"
)

chemdose_dbp_once(
  df,
  input_water = "defined_water",
  cl2 = "use_col",
  time = "use_col",
  treatment = "use_col",
  cl_type = "use_col",
  location = "use_col",
  correction = TRUE,
  coeff = NULL,
  water_prefix = TRUE
)

chemdose_ph_once(
  df,
  input_water = "defined_water",
  hcl = "use_col",
  h2so4 = "use_col",
  h3po4 = "use_col",
  hno3 = "use_col",
  co2 = "use_col",
  naoh = "use_col",
  na2co3 = "use_col",
  nahco3 = "use_col",
  caoh2 = "use_col",
  mgoh2 = "use_col",
  caocl2 = "use_col",
  cacl2 = "use_col",
  cl2 = "use_col",
  naocl = "use_col",
  nh4oh = "use_col",
  nh42so4 = "use_col",
  caco3 = "use_col",
  caso4 = "use_col",
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  ach = "use_col",
  kmno4 = "use_col",
  naf = "use_col",
  na3po4 = "use_col"
)

chemdose_toc_once(
  df,
  input_water = "defined_water",
  output_water = "coagulated_water",
  alum = "use_col",
  ferricchloride = "use_col",
  ferricsulfate = "use_col",
  coeff = "use_col"
)

define_water_once(df)

dissolve_cu_once(df, input_water = "defined_water")

dissolve_pb_once(
  df,
  input_water = "defined_water",
  output_col_solid = "controlling_solid",
  output_col_result = "pb",
  hydroxypyromorphite = "Schock",
  pyromorphite = "Topolska",
  laurionite = "Nasanen",
  water_prefix = TRUE
)

solvect_chlorine_once(
  df,
  input_water = "defined_water",
  time = "use_col",
  residual = "use_col",
  baffle = "use_col",
  free_cl_slot = "residual_only",
  water_prefix = TRUE
)

solvect_o3_once(
  df,
  input_water = "defined_water",
  time = "use_col",
  dose = "use_col",
  kd = "use_col",
  baffle = "use_col",
  water_prefix = TRUE
)

solvedose_alk_once(
  df,
  input_water = "defined_water",
  output_column = "dose_required",
  target_alk = "use_col",
  chemical = "use_col"
)

solvedose_ph_once(
  df,
  input_water = "defined_water",
  output_column = "dose_required",
  target_ph = "use_col",
  chemical = "use_col"
)

solveresid_o3_once(
  df,
  input_water = "defined_water",
  output_column = "o3resid",
  dose = "use_col",
  time = "use_col"
)

OH radical scavenging function

Description

The background hydroxyl radical scavenging term is a measure of the degradation rate of non-target constituents in a water. The term is defined as the sum of the reaction rate of the constituent multiplied by the concentration of the constituent: ⁠sum(k_i * [C]i)⁠ where k_i is the reaction rate of a contaminant and ⁠[C]i⁠ its concentration. Supporting Information in Wang et al. 2019 provides the definition and additional methods for calculating background scavenging. For a data frame of waters, use scavenge_oh_df, which adds the scavenging term as a new column.

Usage

scavenge_oh(water, dose = 0, kdoc_adjust = 25000)

scavenge_oh_df(
  df,
  input_water = "defined",
  output_column = "oh_scavenging",
  dose = "use_col",
  kdoc_adjust = "use_col"
)

Arguments

Details

Rate constants used in the code:

• DOC: 2.5e4 L/mg C/s (Larson and Zepp 1988; 3.0e8 M_C^-1 s^-1 divided by 12,011 mg C/mol)

• HCO3-: 8.5e6 M^-1 s^-1 (Buxton et al. 1988)

• CO3 2-: 3.9e8 M^-1 s^-1 (Buxton et al. 1988)

• NO2-: 1.0e10 M^-1 s^-1 (Coddington et al. 1999; Vinge et al. 2020)

• NO3-: 1.0e5 M^-1 s^-1 (Buxton et al. 1988)

• H2O2: 2.7e7 M^-1 s^-1 (Buxton et al. 1988)

Other reported DOC rate constants, for use as kdoc_adjust. Sources report these per mole of carbon (M_C^-1 s^-1); they are converted to L/mg C/s by dividing by 12,011 mg C/mol. Brezonik and Katsoyiannis values are as compiled in Wols and Hofman-Caris (2012), Table 2.

• 2.41e4 (2.9e8 M_C^-1 s^-1): lake and river water, Brezonik and Fulkerson-Brekken (1998)

• 2.25e4 (2.7e8 M_C^-1 s^-1): Lake Zurich, Katsoyiannis et al. (2011)

• 1.67e4 (2.0e8 M_C^-1 s^-1): Lake Jonsvatnet, Katsoyiannis et al. (2011)

• 1.75e4 (2.1e8 M_C^-1 s^-1): Lake Greifensee, Katsoyiannis et al. (2011)

• 2.91e4 (3.5e8 M_C^-1 s^-1): effluent organic matter, Katsoyiannis et al. (2011)

• 1.67e4 (2.0e8 M_C^-1 s^-1): model value, Wols et al. (2014), Table 3

• 5.29e4 (6.35e8 M_C^-1 s^-1): midpoint of the 3.5e8 to 9.2e8 range cited by Vinge et al. (2021)

Value

scavenge_oh returns the total background hydroxyl radical scavenging term in units of s^-1.

scavenge_oh_df returns a data frame containing the original data frame and a column with the background hydroxyl radical scavenging term in s^-1.

Source

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

Brezonik and Fulkerson-Brekken (1998)

Buxton et al. (1988)

Coddington et al. (1999)

Katsoyiannis et al. (2011)

Larson and Zepp (1988)

Vinge et al. (2020)

Vinge et al. (2021)

Wang et al. (2019)

Wols and Hofman-Caris (2012)

Wols et al. (2014)

Examples

water1 <- define_water(ph=7, doc=3, alk = 70, no3 = 4)
h2o2_dose<-20

background_scavenging <- scavenge_oh(water1, h2o2_dose)

background_SC_adjusted <- scavenge_oh(water1, h2o2_dose, 1.67e4) # Katsoyiannis et al. (2011)


example_df <- water_df %>%
  define_water_df() %>%
  scavenge_oh_df(dose = 10)

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(h2o2 = seq(2, 24, 2)) %>%
  scavenge_oh_df(dose = h2o2, kdoc_adjust = 1.67e4, output_column = "sc")

Determine chemical cost

Description

This function takes a chemical dose in mg/L, plant flow, chemical strength, and $/lb and calculates cost.

Usage

solvecost_chem(dose, flow, strength = 100, cost, time = "day")

Arguments

Value

A numeric value for chemical cost, $/time.

Examples

alum_cost <- solvecost_chem(dose = 20, flow = 10, strength = 49, cost = .22)

cost_data <- data.frame(
  dose = seq(10, 50, 10),
  flow = 10
) %>%
  dplyr::mutate(costs = solvecost_chem(dose = dose, flow = flow, strength = 49, cost = .22))

Determine labor cost

Description

This function takes number of FTE and annual $/FTE and determines labor cost

Usage

solvecost_labor(fte, cost, time = "day")

Arguments

Value

A numeric value for labor $/time.

Examples

laborcost <- solvecost_labor(1.5, 50000)

cost_data <- data.frame(
  fte = seq(1, 10, 1)
) %>%
  dplyr::mutate(costs = solvecost_labor(fte = fte, cost = .08))

Determine power cost

Description

This function takes kW, % utilization, $/kWhr and determines power cost.

Usage

solvecost_power(power, utilization = 100, cost, time = "day")

Arguments

Value

A numeric value for power, $/time.

Examples

powercost <- solvecost_power(50, 100, .08)

cost_data <- data.frame(
  power = seq(10, 50, 10),
  utilization = 80
) %>%
  dplyr::mutate(costs = solvecost_power(power = power, utilization = utilization, cost = .08))

Determine solids disposal cost

Description

This function takes coagulant doses in mg/L as chemical, removed turbidity, and cost ($/lb) to determine disposal cost.

Usage

solvecost_solids(
  alum = 0,
  ferricchloride = 0,
  ferricsulfate = 0,
  flow,
  toc_removed = 0,
  ca_removed = 0,
  mg_removed = 0,
  polymer = 0,
  turb,
  b = 1.5,
  cost,
  time = "day"
)

Arguments

Value

A numeric value for disposal costs, $/time.

Source

https://water.mecc.edu/courses/ENV295Residuals/lesson3b.htm#:~:text=From%20the%20diagram%2C%20for%20example,million%20gallons%20of%20water%20produced.

Examples

alum_solidscost <- solvecost_solids(alum = 50, flow = 10, turb = 2, cost = 0.05)

cost_data <- data.frame(
  alum = seq(10, 50, 10),
  flow = 10
) %>%
  dplyr::mutate(costs = solvecost_solids(alum = alum, flow = flow, turb = 2, cost = 0.05))

Determine disinfection credit from chlorine.

Description

This function takes a water defined by define_water and other disinfection parameters and outputs a data frame of the required CT (ct_required), actual CT (ct_actual), and giardia log removal (glog_removal). For a single water, use solvect_chlorine; to apply the model to a dataframe, use solvect_chlorine_df. For most arguments, the ⁠_df⁠ helpers "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

solvect_chlorine(water, time, residual, baffle, free_cl_slot = "residual_only")

solvect_chlorine_df(
  df,
  input_water = "defined",
  time = "use_col",
  residual = "use_col",
  baffle = "use_col",
  free_cl_slot = "residual_only",
  water_prefix = TRUE
)

Arguments

Details

CT actual is a function of time, chlorine residual, and baffle factor, whereas CT required is a function of pH, temperature, chlorine residual, and the standard 0.5 log removal of giardia requirement. CT required is an empirical regression equation developed by Smith et al. (1995) to provide conservative estimates for CT tables in USEPA Disinfection Profiling Guidance. Log removal is a rearrangement of the CT equations.

Value

solvect_chlorine returns a data frame containing required CT (mg/Lmin), actual CT (mg/Lmin), giardia log removal, and virus log removal.

solvect_chlorine_df returns a data frame containing the original data frame and columns for required CT, actual CT, and giardia log removal.

Source

Smith et al. (1995)

USEPA (2020)

USEPA (1991)

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

Examples

example_ct <- define_water(ph = 7.5, temp = 25) %>%
  solvect_chlorine(time = 30, residual = 1, baffle = 0.7)
ct_calc <- water_df %>%
  define_water_df() %>%
  solvect_chlorine_df(residual = 2, time = 10, baffle = .5)

chlor_resid <- water_df %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  dplyr::mutate(
    residual = seq(1, 12, 1),
    time = seq(2, 24, 2),
    baffle = 0.7
  ) %>%
  solvect_chlorine_df()

Determine disinfection credit from ozone.

Description

This function takes a water defined by define_water() and the first order decay curve parameters from an ozone dose and outputs a dataframe of actual CT, and log removal for giardia, virus, and crypto. For a single water, use solvect_o3; to apply the model to a dataframe, use solvect_o3_df. For most arguments, 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

solvect_o3(water, time, dose, kd, baffle)

solvect_o3_df(
  df,
  input_water = "defined",
  time = "use_col",
  dose = "use_col",
  kd = "use_col",
  baffle = "use_col",
  water_prefix = TRUE
)

Arguments

Details

First order decay curve for ozone has the form: residual = dose * exp(kd*time). kd should be a negative number. Actual CT is an integration of the first order curve. The first 30 seconds are removed from the integral to account for instantaneous demand. CT is set to 0 when the contact time is shorter than those 30 seconds.

When kd is not specified, a default decay curve is used from the Water Treatment Plant Model (2002). This model does not perform well for ozone decay, so specifying the decay curve is recommended.

Value

solvect_o3 returns a data frame containing actual CT (mg/L*min), giardia log removal, virus log removal, and crypto log removal.

solvect_o3_df returns a data frame containing the original data frame and columns for required CT, actual CT, and giardia log removal.

Source

USEPA (2020) Equation 4-4 through 4-7 https://www.epa.gov/system/files/documents/2022-02/disprof_bench_3rules_final_508.pdf

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

Examples

# Use kd from experimental data (recommended):
define_water(ph = 7.5, temp = 25) %>%
  solvect_o3(time = 10, dose = 2, kd = -0.5, baffle = 0.9)
# Use modeled decay curve:
define_water(ph = 7.5, alk = 100, doc = 2, uv254 = .02, br = 50) %>%
  solvect_o3(time = 10, dose = 2, baffle = 0.5)


ct_calc <- water_df %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  dplyr::mutate(
    dose = 2,
    O3time = 10,
  ) %>%
  solvect_o3_df(time = O3time, baffle = .7)

Calculate a desired chemical dose for a target alkalinity

Description

This function calculates the required amount of a chemical to dose based on a target alkalinity and existing water quality. Returns numeric value for dose in mg/L. Uses uniroot on the chemdose_ph function. For a single water, use solvedose_alk; to apply the model to a dataframe, use solvedose_alk_df. For most arguments, 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

solvedose_alk(water, target_alk, chemical)

solvedose_alk_df(
  df,
  input_water = "defined",
  output_column = "dose",
  target_alk = "use_col",
  chemical = "use_col"
)

Arguments

Details

solvedose_alk uses stats::uniroot() on chemdose_ph to match the required dose for the requested alkalinity target.

Value

solvedose_alk returns a numeric value for the required chemical dose.

solvedose_alk_df returns a data frame containing the original data frame and columns for target alkalinity, chemical dosed, and required chemical dose.

See Also

solvedose_ph

Examples

dose_required <- define_water(ph = 7.9, temp = 22, alk = 100, 80, 50) %>%
  solvedose_alk(target_alk = 150, "naoh")

example_df <- water_df %>%
  define_water_df() %>%
  dplyr::mutate(finAlk = seq(100, 210, 10)) %>%
  solvedose_alk_df(chemical = "na2co3", target_alk = finAlk)

Calculate a desired chemical dose for a target pH

Description

Calculates the required amount of a chemical to dose based on a target pH and existing water quality. The function takes an object of class "water", and user-specified chemical and target pH and returns a numeric value for the required dose in mg/L. For a single water, use solvedose_ph; to apply the model to a dataframe, use solvedose_ph_df. For most arguments, 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

solvedose_ph(water, target_ph, chemical)

solvedose_ph_df(
  df,
  input_water = "defined",
  output_column = "dose",
  target_ph = "use_col",
  chemical = "use_col"
)

Arguments

Details

solvedose_ph uses stats::uniroot() on chemdose_ph to match the required dose for the requested pH target.

Value

solvedose_ph returns a numeric value for the required chemical dose.

solvedose_ph_df returns a data frame containing the original data frame and columns for target pH, chemical dosed, and required chemical dose.

See Also

chemdose_ph, solvedose_alk

Examples

water <- define_water(ph = 7, temp = 25, alk = 10)

# Calculate required dose of lime to reach pH 8
solvedose_ph(water, target_ph = 8, chemical = "caoh2")


example_df <- water_df %>%
  define_water_df() %>%
  solvedose_ph_df(input_water = "defined", target_ph = 8.8, chemical = "naoh")

Convert mg/L of chemical to lb/day

Description

This function takes a chemical dose in mg/L, plant flow in MGD, and chemical strength and calculates lb/day of product

Usage

solvemass_chem(dose, flow, strength = 100)

Arguments

Value

A numeric value for the chemical mass in lb/day.

Examples

alum_mass <- solvemass_chem(dose = 20, flow = 10, strength = 49)

library(dplyr)
mass_data <- tibble(
  dose = seq(10, 50, 10),
  flow = 10
) %>%
  mutate(mass = solvemass_chem(dose = dose, flow = flow, strength = 49))

Determine solids lb/day

Description

This function takes coagulant doses in mg/L as chemical, removed turbidity, hardness removal in mg/L as chemical, and plant flow as MGD to determine solids production.

Usage

solvemass_solids(
  alum = 0,
  ferricchloride = 0,
  ferricsulfate = 0,
  flow,
  toc_removed = 0,
  ca_removed = 0,
  mg_removed = 0,
  polymer = 0,
  turb,
  b = 1.5,
  details = FALSE
)

Arguments

Value

A numeric value for solids mass in lb/day. If details = TRUE, returns a named list with total and per-component values in lb/day.

Source

https://water.mecc.edu/courses/ENV295Residuals/lesson3b.htm#:~:text=From%20the%20diagram%2C%20for%20example,million%20gallons%20of%20water%20produced.

Examples

solids_mass <- solvemass_solids(alum = 50, flow = 10, turb = 20)

library(dplyr)
mass_data <- tibble(
  alum = seq(10, 50, 10),
  flow = 10
) %>%
  mutate(mass = solvemass_solids(alum = alum, flow = flow, turb = 20))

mass_details_true <- tibble(
  ferricsulfate = seq(10, 50, 10),
  polymer = seq(1, 5, 1),
  flow = 10
) %>%
  mutate(mass = solvemass_solids(ferricsulfate = ferricsulfate, 
         polymer = polymer, flow = flow, turb = 20))


#'

Determine ozone decay

Description

This function applies the ozone decay model to a water from U.S. EPA (2001) equation 5-128. For a single water, use solveresid_o3; to apply the model to a dataframe, use solveresid_o3_df. For most arguments, 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

solveresid_o3(water, dose, time)

solveresid_o3_df(
  df,
  input_water = "defined",
  output_column = "o3resid",
  dose = "use_col",
  time = "use_col"
)

Arguments

Value

solveresid_o3 returns a numeric value for the residual ozone. The residual is 0 when the modeled ozone demand exceeds the dose.

solveresid_o3_df returns a data frame containing the original data frame and columns for ozone dosed, time, and ozone residual.

Source

U.S. EPA (2001)

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

Examples

ozone_resid <- define_water(7, 20, 100, doc = 2, toc = 2.2, uv254 = .02, br = 50) %>%
  solveresid_o3(dose = 2, time = 10)

ozone_resid <- water_df %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  solveresid_o3_df(dose = 2, time = 10)

ozone_resid <- water_df %>%
  dplyr::mutate(br = 50) %>%
  define_water_df() %>%
  dplyr::mutate(
    dose = seq(1, 12, 1),
    time = seq(2, 24, 2)
  ) %>%
  solveresid_o3_df()

Create summary table from water class

Description

This function takes a water data frame defined by define_water and outputs a formatted summary table of specified water quality parameters.

summarise_wq() and summarize_wq() are synonyms.

Usage

summarize_wq(water, params = c("general"))

summarise_wq(water, params = c("general"))

Arguments

Details

Use chemdose_dbp for modeled DBP concentrations.

Value

A knitr_kable table of specified water quality parameters.

Examples

# Summarize general parameters
water_defined <- define_water(7, 20, 50, 100, 80, 10, 10, 10, 10, tot_po4 = 1)
summarize_wq(water_defined)

# Summarize major cations and anions
summarize_wq(water_defined, params = list("ions"))

Data frame of TOC removal requirements per Stage 1 DBP Rule

Description

A dataset containing required TOC removal based on raw alkalinity and TOC

Usage

toc_compliance_table

Format

A dataframe with 9 rows and 5 columns

toc_min

Minimum raw water TOC for compliance

toc_max

Maximum raw water TOC for compliance

alk_min

Minimum raw water alkalinity for compliance

alk_max

Maximum raw water alkalinity for compliance

required_compliance

Required percent TOC removal based on raw TOC andn alklalinity range

Source

Stage 1 Disinfection Byproduct Rule (1998)

Data frame of virus log removal CT values

Description

A table of virus log removal by disinfection with free chlorine, based on pH, temperature, and contact time

Usage

vlog_removalcts

Format

A dataframe with 35 rows and 4 columns

ph_range

Specifies the pH of the input water

temp_value

Specifies the temperature of the input water

ct_range

Specifies the range of contact times to achieve virus removal

vlog_removal

Level of log virus removal corresponding to ph, temp, and ct

Source

US EPA (1991) Table E-7

Data frame of water quality parameters

Description

A dataset containing fabricated water quality to use as tidywater inputs. Parameters are set to reasonable water quality ranges. Parameters are as follows:

Usage

water_df

Format

A dataframe with 12 rows and 11 columns:

ph

pH in standard units (SU)

temp

Temperature in degree C

alk

Alkalinity in mg/L as CaCO3

tot_hard

Total hardness in mg/L as CaCO3

ca_hard

Calcium hardness in mg/L as CaCO3

na

Sodium in mg/L Na+

k

Potassium in mg/L K+

cl

Chloride in mg/L Cl-

so4

Sulfate in mg/L SO42-

tot_ocl

Total chlorine in mg/L as Cl2

tot_po4

Total phosphate in mg/L as PO42-

Source

Fabricated for use in examples.