Trainingmodel¶
- Transform(pseudoisomers, pH, I, T)[source]¶
Calculate pseudoisomer group standard transformed Gibbs energy of formation at specified pH, ionic strength and temperature.
- USAGE
dG0_prime = Transform (pseudoisomers, pH, I, T)
- INPUTS
pseudoisomers – p x 3 matrix with a row for each of the p pseudoisomers in the group, and the following columns:
Standard Gibbs energy of formation,
Number of hydrogen atoms,
Charge.
pH – pH.
I – Ionic strength in mol/L.
T – Temperature in Kelvin.
- OUTPUT
dG0_prime – Pseudoisomer group standard transformed Gibbs energy of formation in kJ/mol.