TS-LLE_solver/empirical_wf_suberic_run.yaml

10 lines
226 B
YAML

solvent_properties:
name: WF2 + Suberic
water_solubility:
t_low_mass_fraction: 0.1884
t_high_mass_fraction: 0.0
ion_partition_coefficients:
t_low:
default: 0.158771
t_high:
default: -0.138553