TS-LLE_solver/empirical_wf_hexanoic_run.yaml

10 lines
228 B
YAML

solvent_properties:
name: WF2 + Hexanoic
water_solubility:
t_low_mass_fraction: 0.5063
t_high_mass_fraction: 0.138
ion_partition_coefficients:
t_low:
default: 0.854573
t_high:
default: 0.682616