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.
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_bo3 = 0,
tot_sio4 = 0,
tds,
cond,
toc,
doc,
uv254,
br,
f,
fe,
al,
mn,
no3
)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, numeric, in standard units (SU).
temperature, numeric, in °C.
alkalinity, numeric, mg/L as CaCO3.
total dissolved solids, numeric, mg/L.
electrical conductivity, numeric, uS/cm.
total hardness, numeric, mg/L as CaCO3.
dissociation constant for water, numeric, unitless.
total alkalinity as equivalents, numeric, equivalent (eq).
carbonate alkalinity as equivalents, numeric, equivalent (eq).
phosphate alkalinity as equivalents, numeric, equivalent (eq).
ammonium alkalinity as equivalents, numeric, equivalent (eq).
borate alkalinity as equivalents, numeric, equivalent (eq).
silicate alkalinity as equivalents, numeric, equivalent (eq).
hypochlorite alkalinity as equivalents, numeric, equivalent (eq).
total organic carbon, numeric, mg/L.
dissolved organic carbon, numeric, mg/L.
biodegradable organic carbon, numeric, mg/L.
light absorption at 254 nm, numeric, cm-1.
dissolved inorganic carbon, numeric, mg/L as C.
ionic strength, numeric, mol/L.
sodium, numeric, mols/L.
calcium, numeric, mols/L.
magnesium, numeric, mols/L.
potassium, numeric, mols/L.
chloride, numeric, mols/L.
sulfate, numeric, mols/L.
permanganate, numeric, mols/L.
nitrate, numeric, mols/L.
bicarbonate, numeric, mols/L.
carbonate, numeric, mols/L.
phosphoric acid, numeric, mols/L.
hydrogen phosphate, numeric, mols/L.
phosphate, numeric, mols/L.
ammonium, numeric, mol/L as N.
borate, numeric, mol/L.
trihydrogen silicate, numeric, mol/L.
dihydrogen silicate, numeric, mol/L.
acetate, numeric, mol/L.
hydrogen ion, numeric, mol/L.
hydroxide ion, numeric, mol/L.
total phosphate, numeric, mol/L.
total ammonia, numeric, mol/L.
total carbonate, numeric, mol/L.
total borate, numeric, mol/L.
total silicate, numeric, mol/L.
total acetate, numeric, mol/L.
bromide, numeric, mol/L.
bromate, numeric, mol/L.
fluoride, numeric, mol/L.
iron, numeric, mol/L.
aluminum, numeric, mol/L.
manganese, numeric, mol/L.
free chlorine, numeric, mol/L.
hypochlorite ion, numeric, mol/L.
sum of chloramines, numeric, mol/L.
monochloramine, numeric, mol/L.
dichloramine, numeric, mol/L.
trichloramine, numeric, mol/L.
chloroform, numeric, ug/L.
bromodichloromethane, numeric, ug/L.
dibromodichloromethane, numeric, ug/L.
bromoform, numeric, ug/L.
total trihalomethanes, numeric, ug/L.
chloroacetic acid, numeric, ug/L.
dichloroacetic acid, numeric, ug/L.
trichloroacetic acid, numeric, ug/L.
bromoacetic acid, numeric, ug/L.
dibromoacetic acid, numeric, ug/L.
sum of haloacetic acids, numeric, ug/L.
bromochloroacetic acid, numeric, ug/L.
chlorodibromoacetic acid, numeric, ug/L.
dichlorobromoacetic acid, numeric, ug/L.
tribromoacetic acid, numeric, ug/L.
water pH
Temperature in degree C
Alkalinity in mg/L as CaCO3
Total hardness in mg/L as CaCO3
Calcium in mg/L Ca2+
Magnesium in mg/L Mg2+
Sodium in mg/L Na+
Potassium in mg/L K+
Chloride in mg/L Cl-
Sulfate in mg/L SO42-
Permanganate in mg/L MnO4-
Free chlorine in mg/L as Cl2. Used when a starting water has a free chlorine residual.
Combined chlorine (chloramines) in mg/L as Cl2. Used when a starting water has a chloramine residual.
Phosphate in mg/L as PO4 3-. Used when a starting water has a phosphate residual.
Total ammonia in mg/L as N
Total acetate in mg/L
Total borate (B(OH)4 -) in mg/L as B
Total silicate in mg/L as SiO2
Total Dissolved Solids in mg/L (optional if ions are known)
Electrical conductivity in uS/cm (optional if ions are known)
Total organic carbon (TOC) in mg/L
Dissolved organic carbon (DOC) in mg/L
UV absorbance at 254 nm (cm-1)
Bromide in ug/L Br-
Fluoride in mg/L F-
Iron in mg/L Fe3+
Aluminum in mg/L Al3+
Manganese in ug/L Mn2+
Nitrate in mg/L as N
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.
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)
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