Speech Title: Prediction of thermodynamic properties of substances

Abstract:  The minimization of the Gibbs free energy for the substance system involves in dealing with many issues, including chemical reaction, vapor-liquid phase equilibrium, adsorption, and gasification of biomass and coal. In addition, all thermodynamic properties can be derived by the aid of combinations of the Gibbs free energy and its derivatives. However, it has been a formidable task in science and engineering community to develop efficient analytical representations of the Gibbs free energies for some substances, including nitrogen, carbon dioxide, hydrogen sulfide, water and methane. Here, we report suitable analytical representations of the Gibbs free energies for carbon dioxide, hydrogen sulfide and water. These analytical representations only involve several molecular constants of the molecules, whereas the conventional computation schemes require a great many experimental spectroscopy data or calorimetric data. The predicted results for the Gibbs free energies for the corresponding substances are in excellent agreement with available experimental data.