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,
tot_ch3coo = 0,
tot_bo3 = 0,
tot_sio4 = 0,
tds,
cond,
toc,
doc,
uv254,
br,
f,
fe,
al,
mn,
no3
)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)
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
- tot_ch3coo
Total acetate in mg/L
- tot_bo3
Total borate (B(OH)4 -) in mg/L as B
- tot_sio4
Total silicate in mg/L as SiO2
- 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
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).
- 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.
- bo3
borate, 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_bo3
total borate, numeric, mol/L.
- tot_sio4
total silicate, numeric, mol/L.
- tot_ch3coo
total acetate, 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.