Calculates the new water quality (pH, alkalinity, pH dependent ions) for a water in an open system where CO2(aq) is at equilibrium with atmospheric CO2.
The function takes an object of class "water" and the partial pressure of CO2, then returns a water class object with updated water slots.
For a single water, use opensys_ph; to apply the model to a dataframe, use opensys_ph_df.
For most arguments, 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
opensys_ph(water, partialpressure = 10^-3.42)
opensys_ph_df(
df,
input_water = "defined",
output_water = "opensys",
pluck_cols = FALSE,
water_prefix = TRUE,
partialpressure = "use_col"
)Arguments
- water
Source water of class "water" created by define_water
- partialpressure
Partial pressure of CO2 in the air in atm. Default is 10^-3.5 atm, which is approximately Pco2 at sea level.
- df
a data frame containing a water class column, which has already been computed using define_water_df. The df may include a column with names for each of the chemicals 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 "opensys".
- pluck_cols
Extract 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
A water with updated pH/alk/etc.
opensys_ph_df returns a data frame containing a water class column with updated ph and alk (and pH dependent ions).
Optionally, it also adds columns for each of those slots individually.
Details
opensys_ph uses the equilibrium concentration of CO2(aq) to determine the concentrations of carbonate species in the water and the pH by solving for
the CO2 dose that results in a H2CO3 concentration equal to CO2(aq).
Examples
water <- define_water(ph = 7, temp = 25, alk = 5) %>%
opensys_ph()
#> 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.
# \donttest{
example_df <- water_df %>%
define_water_df() %>%
opensys_ph_df(
input_water = "defined", output_water = "opensys",
partialpressure = 10^-4, pluck_cols = TRUE
)
# }