define_water {tidywater} | R Documentation |
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.
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,
tds,
cond,
toc,
doc,
uv254,
br,
f,
fe,
al,
mn,
no3
)
Arguments
ph |
water pH |
temp |
Temperature in degree C |
alk |
Alkalinity in mg/L as CaCO3 |
tot_hard |
Total hardness in mg/L as CaCO3 |
ca |
Calcium in mg/L Ca2+ |
mg |
Magnesium in mg/L Mg2+ |
na |
Sodium in mg/L Na+ |
k |
Potassium in mg/L K+ |
cl |
Chloride in mg/L Cl- |
so4 |
Sulfate in mg/L SO42- |
mno4 |
Permanganate in mg/L MnO4- |
free_chlorine |
Free chlorine in mg/L as Cl2. Used when a starting water has a free chlorine residual. |
combined_chlorine |
Combined chlorine (chloramines) in mg/L as Cl2. Used when a starting water has a chloramine residual. |
tot_po4 |
Phosphate in mg/L as PO4 3-. Used when a starting water has a phosphate residual. |
tot_nh3 |
Total ammonia in mg/L as N |
tds |
Total Dissolved Solids in mg/L (optional if ions are known) |
cond |
Electrical conductivity in uS/cm (optional if ions are known) |
toc |
Total organic carbon (TOC) in mg/L |
doc |
Dissolved organic carbon (DOC) in mg/L |
uv254 |
UV absorbance at 254 nm (cm-1) |
br |
Bromide in ug/L Br- |
f |
Fluoride in mg/L F- |
fe |
Iron in mg/L Fe3+ |
al |
Aluminum in mg/L Al3+ |
mn |
Manganese in ug/L Mn2+ |
no3 |
Nitrate in mg/L as N |
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.
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
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.
- hco3
bicarbonate, numeric, mols/L.
- co3
carbonate, numeric, mols/L.
- h2po4
phosphoric acid, numeric, mols/L.
- hpo4
hydrogen phosphate, numeric, mols/L.
- po4
phosphate, numeric, mols/L.
- nh4
ammonium, numeric, mol/L as N.
- 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.
- 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.
- 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.
- dmcaa
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.
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)
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)