NEWS

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tidywater 0.10.0 (2025-08-24)

New features

• Revamped helpers _df replace chain and once functions. Use pluck_cols = TRUE to mimic once behavior, although it will always return a water column as well.
• Virus log removal added to solvect_chlorine based on the EPA Guidance Manual Table E-7 (1991)
• modify_water can now modify multiple water slots at once. Note that in order to modify multiple slots using modify_water_df, all input arguments must be included as a list.
• Acetic acid added as chemical to chemdose_ph. In addition to changing pH, dosing acetic acid will also update TOC and DOC of the input water.
• regulate_toc now available for calculating TOC removal compliance
• gacrun_toc, gac_toc, and gacbv_toc added to predict TOC removal from GAC treatment using either the EPA WTP model (2001) or the Zachman and Summers (2018) model. Different functions provide different output types: a data frame of the TOC breakthrough curve, a new water with updated TOC, DOC, and UV254 water slots, or the necessary bed volumes to stay below the target effluent TOC. See individual functions for documentation.
• pluck_water and _df helpers sped up by relying on base R instead of purrr
• chemdose_toc can now account for doc removal due to lime softening from the WTP Model (2001). To implement, use the caoh2 argument.
• New model opensys_ph added to predict pH and alkalinity of an input water in an open carbonate system at equilibrium
• New function plot_lead added to graph the pH vs DIC contour plot for lead solubility
• Alkalinity slots added to the water class. alk and alk_eq represent the total alkalinity, and individual alkalinities due to carbonate, phosphate, ammonium, borate, silicate, and hypochlorite have been added as individual slots (eg. carbonate_alk_eq).

Breaking changes

• _chain and _once functions have been deprecated. Replace with _df functions. Code should be similar, but has slightly different outputs.
• Default water naming in helper functions has been shortened to remove "_water". Eg, new default output_water = "defined", old default output_water = "defined_water". See function documentation for new defaults.
• Total alkalinity (alk) now accounts for phosphate, silicate, borate, hypochlorite, and ammonia. Could have a minor impact on final pH and alkalinity calculations in waters with those compounds.
• Now depends on R >= 4.1.0 for built in pipe operator, |>

tidywater 0.9.0 (2025-07-03)

New features

• New chemdose_ph chemicals: CaOCl2, CaSO4, HNO3, KMnO4, NaF, and Na3PO4
• New model dissolve_cu predicts the concentration of copper given pH, DIC, and phosphate based on the empirical model described in Lytle et al. (2018). dissolve_cu_once can also predict copper for waters in a data frame.
• chemdose_dbp can now input custom fitting coefficients as a data frame
• chemdose_ph_once and chemdose_toc_once are back and only return relevant waters slots in its output.
• decarbonate_ph: function to remove CO2 (H2CO3) from a water and determine the new pH (and division of ions)
• modify_water: function to modify individual slots in a water that handles unit conversions

Breaking changes

• applied_treatment slot removed from water. Was not providing any benefit and added complexity. Should be the responsibility of the user to track.
• h2co3 slot added to water class calculated based on {H} and total carbonate.
• chemdose_ph warns when ion water slots aren't updated due to NA slots.
• solvedose_ph updated search range to allow for more water qualities without erroring. Updated search process results in slightly different outputs.
• _toc functions are DOC-based and previously assumed no particulate TOC removal. In reality, virtually all particulate TOC is removed with other particulates, so models have been updated to return TOC = DOC
• chemdose_toc custom coeff now accepts a data frame instead of a named list
• Corrosion index slots removed from water class.
• calculate_corrosion now outputs a data frame with the corrosion indices as columns. calculate_corrosion_chain removed because the base function has a numeric output.
• calculate_corrosion updated CCPP search range to allow for more water qualities without erroring.
• solvect_o3 and solveresid_o3 now return zero instead of NaN when the input dose is zero

tidywater 0.8.2 (2025-05-17)

• Reduce examples for CRAN speed again.

tidywater 0.8.1

• Pare down examples and vignettes to speed up CRAN checks
• Minor updates to chemdose_chloramine warnings.

tidywater 0.8.0

• calculate_corrosion expanded CCPP search range (fewer errors)

Breaking changes

• Helper function (_chain and _once) behavior change: can now specify column name unquoted (eg, alum = AlumDose)
• Removed most (_once) helper functions because the desired output is almost never all water slots as columns. Refer to pluck_water(parameter = "all") for same behavior.
• pac_toc now constrained to accept a smaller range of doses and times. The form of the equation was allowing negative TOC outputs.
• define_water, chemdose_ph, blend_waters, and other pH related functions slightly impacted by a fix in concentration vs activity. Previous code assumed pH = 10^-[H+], code has been corrected to pH = 10^-{H+}

New features

• User may now choose which cation or anion to use for balancing ions
• dic now calculated in define_water
• dic now available in convert_units
• chemdose_chloramine: chloramine formation model given chlorine, ammonia, time
• chemdose_chlordecay now has argument, use_chlorine_slot. Function can now use chlorine dose and/or free_chlorine or combined_chlorine slots.

tidywater 0.7.0 (2025-01-22)

New features

• chlorine and chloramine decay: chemdose_chlordecay
• New water slots for chloramine chemistry: combined_chlorine, nh2cl, nhcl2, ncl3
• solvemass_solids separates functionality from solvecost_solids to solve lb/day
• biofilter_toc, chemdose_chlordecay, ozonate_bromate, and solvect helpers now available.

Breaking changes

• chemdose_ct renamed solvect_chlorine
• ozonate_ct renamed solvect_o3
• tot_ocl slot in water renamed free_chlorine
• define_water argument changes: tot_ocl changed to free_chlorine, added combined_chlorine
• Helper function (_chain and _once) behavior change: if multiple values are specified for multiple arguments, all combinations are used.

tidywater 0.6.2 (2024-11-05)

• CRAN resubmission.
• Minor changes to DESCRIPTION and examples using plan

tidywater 0.6.1

• Initial CRAN submission.
• Fix R CMD check notes

tidywater 0.6.0

New features

• biofilter_toc updates the bdoc water slot
• pac_toc helper functions _chain and _once

Breaking changes

• biofilter_toc argument, o3_dose, was replaced with ozonated, which accepts TRUE or FALSE inputs

tidywater 0.5.0

Fixes

• default temperature is now 25C
• corrected enthalpy of reaction for ammonium ion
• completed PAC models

New features

• chemdose_ct: CT calculations, including CT actual, CT required, and giardia log removal
• solvecost_ family: cost calculations, including chemicals, power, solids, and labor
• solvemass_ :convert chemical doses from mg/L to lb/day
• solveresid_o3: ozone decay model and corresponding helper function from WTP model
• ozonate_ct: ozone CT model
• validate water function, not exported but useful for function writing
• chemdose_f: fluoride model for alum addition. Requires site specific fitting.
• biofilter_toc: biofiltration model (Terry & Summers)
• added ACH to chemdose_ph

Breaking changes

• total ammonia water slot changed from tot_nh4 to tot_nh3

Code structure changes

• renamed and rearranged R scripts to better find functions and associated helper functions
• update most functions to use base R, and only use dplyr functions where necessary (increase speed)

tidywater 0.4.0

Fixes

• solve_ph code updated to handle starting po4 concentration

New features

• convert_watermg for cleaner water exports
• bromate formation models
• ammonia in pH chemistry
• new water slots for F, Fe, Al, etc
• helper functions for chemdose_dbp
• PAC models (incomplete)

Breaking changes

• treatment slot renamed "applied_treatments"
• solve_ph changes. Should only see different values when po4 is in the water.
• Added hydration to ferric sulfate and renamed coagulants for consistency.
• pluck_water doesn't allow specification of output_column. It is named by default from the input and parameters. Improved pluck does allow multiple parameters and waters in one function.

tidywater 0.3.0

Fixes

• Raw water DBP models do not require UVA
• Updated incorrect DBP model coefficients

New features

• CaCl2 now included in possible chemical addition.

Breaking changes

• define_water now has arguments for "ca" and "mg" and no longer has "ca_hard".
• summarize_dbp and summarize_corrosion removed. summarize_wq now takes arguments to summarize general, ions, dbps, or corrosion

tidywater 0.2.1

Bug fixes

• Small vignette changes to fix package build.

tidywater 0.2.0

New features

• TOC removal through coagulation, chemdose_toc and matching _chain and _once helper functions.
• DBP formation from coagulation, chemdose_dbp. No helper functions yet except summarise_dbp
• Calculation of corrosion indices, calculate_corrosion and summarise_corrosion with helper functions.
• Theoretical lead solubility dissolve_pb with helper functions.
• Helper function pluck_water to pull one slot from a water column in a data frame.

Breaking changes

• Changes in S4 water class and define_water to handle more water quality parameters.

Calculation changes

• Activity is calculated from ionic strength and used in pH calculations.
• Ionic strength is based on TDS or conductivity and is recalculated when appropriate in balance_ions and chemdose_ph

tidywater 0.1.0

• Initial release
• Acid/base equilibrium with assumption activity = concentration
• Helper functions _chain and _once for applying models to data frames.