Open mtourod opened 3 years ago
Totally!
I think this may be the pattern you're looking for:
library(tidyphreeqc)
solution <- phr_solution(
Ca = 1,
Cl = 2.1,
pH = c(7, "charge")
)
solution
#> <phr_input_section>
#> SOLUTION 1
#> Ca 1
#> Cl 2.1
#> pH 7 charge
phr_run(
solution,
phr_selected_output(totals = c("Ca", "Cl"), pH = TRUE)
)
#> <phr_run_output>
#> PHREEQC run with 1 selected output(s)
#> Raw output at '/var/folders/gt/l87wjg8s7312zs9s7c1fgs900000gn/T//RtmpEp1qVg/file825f200fa390'
#> as_tibble():
#> # A tibble: 1 × 11
#> selected_output sim state soln dist_x time step pH pe `Ca(mol/kgw)`
#> <chr> <int> <chr> <int> <dbl> <dbl> <int> <dbl> <dbl> <dbl>
#> 1 n1 1 i_soln 1 NA NA NA 4.02 4 0.001
#> # … with 1 more variable: Cl(mol/kgw) <dbl>
Created on 2021-09-03 by the reprex package (v2.0.1)
You can find out more about the SOLUTION block here: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/html/final-56.html
Hello everyone!
I am at the moment developing a model that integrates microbial activity and geochemistry, and I have reached a point in which my microbes are pumping H+ to the environment, but I have realised that I need to add something to compensate that generation of positive charges.
I know that on the phreeqc GUI you can just add "charge" to the ion you can to use to balance, like in:
Line 0: SOLUTION 25 Test solution number 25 Line 1: temp 25.0 Line 2: pH 7.0 charge
But I don't know how it would be on tidyphreeqc. Is it possible to do it? and If so, how would I do it in my code, that is looking like this at the moment;
Thank you very much!