---
database:
    path: ../data/cemdata.js
    swap_components: 
        - out: H[+]
          in: HO[-]
        - out: Al[3+]
          in: Al(OH)4[-] 
    remove_gas: true

units:
    length: decimeter

speciation:
    - name: "Ca / CO2 system"
      formulation:
          solution: 
              amount: 0.5
              unit: kg
          aqueous:
              - label: H2CO3
                amount: 2
                unit: mol/kg
              - label: NaOH
                amount: 0.2
                unit: g
          solid_phases:
              - label: Portlandite
                amount: 5.0
                unit: mol/dm^3
      constraints:
            charge_keeper: "Cl[-]"
            fixed_activity: 
                - label: "HO[-]"
                  amount: 1e-10
            saturated_system: True
      output: "solution.js"
      output_db: ""

specmicp_options:
    maximum_step_length: 20.0
    maximum_step_max_iteration: 100
    residual_tolerance: 1e-8
    step_tolerance: 1e-14
    enable_nonmonotone_linesearch: true
    enable_scaling: true
    non_ideality_tolerance: 1e-14
    cutoff_total_concentration: 1e-10