Created
March 7, 2019 19:40
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| library(tidyverse) | |
| library(tidyphreeqc) | |
| solution_cacl2 <- phr_solution( | |
| 0, "CaCl2", | |
| units = "mmol/kgw", | |
| temp = 25, | |
| pH = "7 charge", | |
| pe = "12.5 O2(g) -0.68", | |
| Ca = 0.6, | |
| Cl = 1.2 | |
| ) | |
| solution_initial <- phr_solution( | |
| "1-40", "Initial solution for column", | |
| units = "mmol/kgw", | |
| temp = 25, | |
| pH = "7 charge", | |
| pe = "12.5 O2(g) -0.68", | |
| Na = 1, | |
| K = 0.2, | |
| "N(5)" = 1.2 | |
| ) | |
| # do advection calculation | |
| df_advect <- phr_input( | |
| solution_cacl2, | |
| solution_initial, | |
| phr_input_section("EXCHANGE", "1-40", components = list("-equilibrate" = 1, "X" = 0.0011)), | |
| phr_input_section( | |
| "ADVECTION", | |
| components = list( | |
| "-cells" = 40, | |
| "-shifts" = 100, | |
| "-punch_cells" = 40, | |
| "-punch_frequency" = 1, | |
| "-print_cells" = 40, | |
| "-print_frequency" = 20 | |
| ) | |
| ), | |
| phr_selected_output(totals = c("Na", "Cl", "K", "Ca"), step = TRUE) | |
| ) %>% | |
| phr_run() %>% | |
| as_tibble() | |
| # plot advection calculation | |
| df_advect %>% | |
| filter(state == "advect") %>% | |
| ggplot(aes(time, `K(mol/kgw)` * 1000)) + | |
| geom_line() | |
| df_transport <- phr_input( | |
| solution_cacl2, | |
| solution_initial, | |
| phr_input_section("EXCHANGE", "1-40", components = list("-equilibrate" = 1, "X" = 0.0011)), | |
| phr_input_section( | |
| "TRANSPORT", | |
| components = list( | |
| "-cells" = 40, | |
| "-lengths" = 0.002, | |
| "-shifts" = 100, | |
| "-time_step" = 720.0, | |
| "-flow_direction" = "forward", | |
| "-boundary_conditions" = c("flux", "flux"), | |
| "-diffusion_coefficient" = 0, | |
| "-correct_disp" = "true", | |
| "-punch_cells" = 40, | |
| "-punch_frequency" = 1, | |
| "-print_cells" = 40, | |
| "-print_frequency" = 20 | |
| ) | |
| ), | |
| phr_selected_output(totals = c("Na", "Cl", "K", "Ca")) | |
| ) %>% | |
| phr_run() %>% | |
| as_tibble() | |
| # plot transport calculation | |
| df_transport %>% | |
| filter(state == "transp") %>% | |
| ggplot(aes(time, `K(mol/kgw)` * 1000)) + | |
| geom_line() |
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Created on 2019-03-07 by the reprex package (v0.2.1)