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
  • pseudoisomersp x 3 matrix with a row for each of the p pseudoisomers in the group, and the following columns:

    1. Standard Gibbs energy of formation,

    2. Number of hydrogen atoms,

    3. 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.