# tsse_parameters.yaml

process_settings:
  mode: "forward" # options are forward, reverse, and empirical
  empirical_solvent_file: "empirical_wf_hexanoic_run.yaml"  # NEW: Point to your empirical data!           
  feed_volume_L: 2.0        
  solvent_volume_L: 1.0     
  target_reject_volume_L: 1.0  # NEW: What volume do you want left behind?
  t_low_C: 25.0             
  t_high_C: 70.0            

solvent_properties:
  name: "Generic DIPA-like Amine"
  density_kg_L: 0.80           # NEW: Solvent density
  max_water_uptake_frac: 0.833 # NEW: The 400% volumetric expansion limit
  water_solubility:
    t_low_mass_fraction: 0.35   
    t_high_mass_fraction: 0.05  
  
  ion_partition_coefficients:
    t_low:
      default: 0.001        
    t_high:
      default: 0.0001