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,
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,
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,
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",
kmno4 = "use_col",
naf = "use_col",
na3po4 = "use_col",
softening_correction = "use_col"
)Arguments
- water
Source water object of class "water" created by define_water
- hcl
Amount of hydrochloric acid added in mg/L: HCl -> H + Cl
- h2so4
Amount of sulfuric acid added in mg/L: H2SO4 -> 2H + SO4
- h3po4
Amount of phosphoric acid added in mg/L: H3PO4 -> 3H + PO4
- hno3
Amount of nitric acid added in mg/L: HNO3 -> H + NO3
- ch3cooh
Amount of acetic acid added in mg/L: CH3COOH -> H + CH3COO-
- co2
Amount of carbon dioxide added in mg/L: CO2 (gas) + H2O -> H2CO3*
- naoh
Amount of caustic added in mg/L: NaOH -> Na + OH
- caoh2
Amount of lime added in mg/L: Ca(OH)2 -> Ca + 2OH
- mgoh2
Amount of magnesium hydroxide added in mg/L: Mg(OH)2 -> Mg + 2OH
- na2co3
Amount of soda ash added in mg/L: Na2CO3 -> 2Na + CO3
- nahco3
Amount of sodium bicarbonate added in mg/L: NaHCO3 -> Na + H + CO3
- caco3
Amount of calcium carbonate added (or removed) in mg/L: CaCO3 -> Ca + CO3
- caso4
Amount of calcium sulfate added (for post-RO condition) in mg/L: CaSO4 -> Ca + SO4
- caocl2
Amount of Calcium hypochlorite added in mg/L as Cl2: CaOCl2 -> Ca + 2OCl
- cacl2
Amount of calcium chloride added in mg/L: CaCl2 -> Ca2+ + 2Cl-
- cl2
Amount of chlorine gas added in mg/L as Cl2: Cl2(g) + H2O -> HOCl + H + Cl
- naocl
Amount of sodium hypochlorite added in mg/L as Cl2: NaOCl -> Na + OCl
- nh4oh
Amount of ammonium hydroxide added in mg/L as N: NH4OH -> NH4 + OH
- nh42so4
Amount of ammonium sulfate added in mg/L as N: (NH4)2SO4 -> 2NH4 + SO4
- alum
Amount of hydrated aluminum sulfate added in mg/L: Al2(SO4)3*14H2O + 6HCO3 -> 2Al(OH)3(am) +3SO4 + 14H2O + 6CO2
- ferricchloride
Amount of ferric Chloride added in mg/L: FeCl3 + 3HCO3 -> Fe(OH)3(am) + 3Cl + 3CO2
- ferricsulfate
Amount of ferric sulfate added in mg/L: Fe2(SO4)3*8.8H2O + 6HCO3 -> 2Fe(OH)3(am) + 3SO4 + 8.8H2O + 6CO2
- ach
Amount of aluminum chlorohydrate added in mg/L: Al2(OH)5Cl*2H2O + HCO3 -> 2Al(OH)3(am) + Cl + 2H2O + CO2
- kmno4
Amount of potassium permanganate added in mg/L: KMnO4 -> K + MnO4
- naf
Amount of sodium fluoride added in mg/L: NaF -> Na + F
- na3po4
Amount of trisodium phosphate added in mg/L: Na3PO4 -> 3Na + PO4
- softening_correction
Set to TRUE to correct post-softening pH (caco3 must be < 0). Default is FALSE. Based on WTP model equation 5-62
- df
a data frame containing a water class column, which has already been computed using define_water_df The df may include columns named for the chemical(s) being dosed.
- input_water
name of the column of water class data to be used as the input for this function. Default is "defined".
- output_water
name of the output column storing updated water class object. Default is "dosed".
- na_to_zero
option to convert all NA values in the data frame to zeros. Default value is TRUE.
- pluck_cols
Extract primary water slots modified by the function (ph, alk) into new numeric columns for easy access. Default to FALSE.
- water_prefix
Append the output_water name to the start of the plucked columns. Default is TRUE.
Value
chemdose_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.
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.
Examples
water <- define_water(ph = 7, temp = 25, alk = 10)
#> Warning: Major ions missing and neither TDS or conductivity entered. Ideal conditions will be assumed. Ionic strength will be set to NA and activity coefficients in future calculations will be set to 1.
# Dose 1 mg/L of hydrochloric acid
dosed_water <- chemdose_ph(water, hcl = 1)
#> Warning: Chloride-containing chemical dosed, but cl water slot is NA. Slot not updated because background cl unknown.
# Dose 1 mg/L of hydrochloric acid and 5 mg/L of alum simultaneously
dosed_water <- chemdose_ph(water, hcl = 1, alum = 5)
#> Warning: Chloride-containing chemical dosed, but cl water slot is NA. Slot not updated because background cl unknown.
#> Warning: Sulfate-containing chemical dosed, but so4 water slot is NA. Slot not updated because background so4 unknown.
# Softening:
water2 <- define_water(ph = 7, temp = 25, alk = 100, tot_hard = 350)
#> Warning: Missing values for calcium and magnesium but total hardness supplied. Default ratio of 65% Ca2+ and 35% Mg2+ will be used.
#> Warning: Major ions missing and neither TDS or conductivity entered. Ideal conditions will be assumed. Ionic strength will be set to NA and activity coefficients in future calculations will be set to 1.
dosed_water2 <- chemdose_ph(water2, caco3 = -100, softening_correction = TRUE)
# \donttest{
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)
# }