JutulDarcy.jl

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Plotting CO2 properties used in compositional model ​

JutulDarcy includes a set of pre-generated tables for simulation of CO2 storage in saline aquifers, as well as functions for calculating PVT and solubility properties of CO2-brine mixtures with varying degrees of salinity.

For more details on the property calculations used herein, please see the paper Three-dimensional simulation of geologic carbon dioxide sequestration using MRST by L. Saló et al (2024).

This example demonstrates how to plot the properties, and does a basic comparison of how the properties change when the aqueous phase has salts added.

julia
using Jutul, JutulDarcy, GLMakie
import JutulDarcy.CO2Properties: co2_brine_property_tables

Define plotting functions ​

We define a plotting function that varies temperature, and one that compares the same property with and without salts for a given temperature.

julia
T = [20.0, 40.0, 60.0, 80.0, 100.0]
p = range(5, 300, 100)

function plot_property(prop, tab, component, title = "")
    trans = x -> x
    if prop == :viscosity
        u = "(Pa s)"
    elseif prop == :density
        u = "(kg/m^3)"
    elseif prop == :K
        u = " (log10)"
        trans = log10
    else
        u = ""
    end
    is_h2o = component == :H2O
    fig = Figure(size = (800, 600))
    ax = Axis(fig[1, 1], title = title, xlabel = "Pressure (bar)", ylabel = "$component $prop $u")

    F = tab[prop]
    if prop == :K
        F = F.K
    end
    for (i, T_i) in enumerate(T)
        val = F.(convert_to_si(p, :bar), T_i + 273.15)
        if is_h2o
            val = map(first, val)
        else
            val = map(last, val)
        end
        lines!(ax, p, trans.(val), label = "T=$(T_i) °C",
            colormap = :hot,
            color = i,
            colorrange = (1, length(T)+3),
            linewidth = 2,
        )
    end
    axislegend(position = :lt, orientation = :horizontal)
    fig
end

function plot_brine_comparison(prop, T, tab1, tab2, component, title = "")
    trans = x -> x
    if prop == :viscosity
        u = "(Pa s)"
    elseif prop == :density
        u = "(kg/m^3)"
    elseif prop == :K
        u = ""
        u = " (log10)"
        trans = log10
    else
        u = ""
    end
    is_h2o = component == :H2O
    fig = Figure(size = (800, 600))
    ax = Axis(fig[1, 1], title = title, xlabel = "Pressure (bar)", ylabel = "$component $prop $u")

    pbar = convert_to_si.(p, :bar)

    F1 = tab1[prop]
    F2 = tab2[prop]
    if prop == :K
        F1 = F1.K
        F2 = F2.K
    end
    val1 = F1.(pbar, T + 273.15)
    val2 = F2.(pbar, T + 273.15)

    if is_h2o
        val1 = map(first, val1)
        val2 = map(first, val2)
    else
        val1 = map(last, val1)
        val2 = map(last, val2)
    end
    lines!(ax, trans.(val1), label = "Water",
        linewidth = 2,
    )
    lines!(ax, trans.(val2), label = "Brine",
        linewidth = 2,
    )
    axislegend(position = :lt, orientation = :horizontal)
    fig
end
plot_brine_comparison (generic function with 2 methods)

Generate tables ​

We get tables for a wide pressure and temperature range. The first set of tables assumes no salts, and the second set of tables uses specified molar fractions of salts in the aqueous phase.

julia
tab_water = co2_brine_property_tables()
tab_brine = co2_brine_property_tables(
    salt_names = ["NaCl", "KCl"],
    salt_mole_fractions = [0.05, 0.01]
)
Dict{Symbol, Any} with 11 entries:
  :density                         => BilinearInterpolant{Vector{Float64}, Matr…
  :heat_capacity_constant_pressure => BilinearInterpolant{Vector{Float64}, Matr…
  :phase_conductivity              => BilinearInterpolant{Vector{Float64}, Matr…
  :K                               => KValueWrapper{BilinearInterpolant{Vector{…
  :co2_table                       => (data = [1.0 101325.0 … 827.805 434249.0;…
  :viscosity                       => BilinearInterpolant{Vector{Float64}, Matr…
  :h2o_table                       => (data = [1.0 101325.0 … 4216.11 2.04082e5…
  :solubility_table                => (data = [1.0 101325.0 0.00660871 0.001131…
  :enthalpy                        => BilinearInterpolant{Vector{Float64}, Matr…
  :heat_capacity_constant_volume   => BilinearInterpolant{Vector{Float64}, Matr…
  :internal_energy                 => BilinearInterpolant{Vector{Float64}, Matr…

Plot aqueous mass density ​

julia
plot_property(:density, tab_water, :H2O, "Pure phase density, no salts")

Plot gaseous mass density ​

julia
plot_property(:density, tab_water, :CO2, "Pure phase density, no salts")

Plot aqueous viscosity ​

julia
plot_property(:viscosity, tab_water, :H2O, "Pure phase viscosity, no salts")

Plot gaseous viscosity ​

julia
plot_property(:viscosity, tab_water, :CO2, "Pure phase viscosity, no salts")

Plot K-value of CO2 ​

The K value defines the ratio between liquid and vapor phases at equilibrium conditions and is closely related to solubility. For a component we relate the liquid mass fraction xi to the vapor mole fraction yi of that component by the K-value Ki:

yi=Ki(p,T)xi

julia
plot_property(:K, tab_water, :CO2, "K value of CO2 component in aqueous phase, no salts")

Compare K value with and without salts ​

julia
plot_brine_comparison(:K, 30.0, tab_water, tab_brine, :CO2, "K value of CO2 component in aqueous phase")

Compare density with and without salts ​

julia
plot_brine_comparison(:density, 30.0, tab_water, tab_brine, :H2O, "Pure phase density")

Example on GitHub ​

If you would like to run this example yourself, it can be downloaded from the JutulDarcy.jl GitHub repository as a script, or as a Jupyter Notebook

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