CHAPTER 14: Gibbs–Helmholtz Equation: Practical Applications in Thermochemistry

The thermodynamic feasibility of a chemical process is determined by the sign of the Gibbs reaction energy. The Gibbs–Helmholtz equation applied to thermochemistry is clearly represented by the enthalpic and entropic contributions to the Gibbs energy. Various thermochemical methods useful for deriving these contributions from experiment and theory are collected and analyzed. The concept of the in silico-based Gibbs–Helmholtz equation is proposed. The application of the in silico procedure to modern areas of chemistry such as hydrogen storage and ionic liquids is demonstrated.