phr_reaction: Specify a REACTION
In paleolimbot/tidyphreeqc: Tidy geochemical modeling using PHREEQC

Description Usage Arguments Details See Also Examples

Define irreversible reactions that transfer a specified amount of elements into your SOLUTION during a batch reaction simulation.

1 2	phr_reaction(.number = 1, .name = "", Reaction_amount, Linear_steps = NA, units = "moles", ...)

`.number`	Number of the component
`.name`	Name of the component
`Reaction_amount`	Amount of components added per step
`Linear_steps`	Number of times a `Reaction_amount` shall be added
`units`	Character vector of length = 1. Either "moles", "millimoles" or "micromoles"
`...`	Further arguments

The steps at which components are added to the solution can be defined either explicitly or implicitly. For an explicit definition provide Reaction_amount with a vector where each element refers to one amount (in "units") at the step of the elements index. For the implicit definition, Reaction_amount needs to be given as a single numeric and Linear_steps is set to the number of times that amount is added to the SOLUTION to cause a REACTION.

https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/phreeqc3-html/phreeqc3-33.htm#50528257_75635

A phr_input_section()

#Explicit definition:
phr_reaction(Anhydrite = 1, Reaction_amount = c(1, 1, 2, 2, 2, 8, 3),
 units = "micromoles")

#Implicit definition:
phr_reaction(Pyrite = 1, Reaction_amount = 5,
units = "millimoles", Linear_steps = 14)

# PHREEQC accepts not only EQUILIBRIUM_PHASES but any formula composed of
# defined SOLUTION_MASTER_SPECIES. It is up to you, however, to make sure
# the reaction you specify does actually make sense. In a REACTION block
# PHREEQC will dissolve anything, regardless of phase solubility

phr_reaction(C8H18O = 1, Reaction_amount = 0.1, Linear_steps = 10)