Prediction of thermodynamic properties for sulfur dioxide

We report a novel formulation representation of the molar Gibbs free energy for sulfur dioxide (SO2), which depends only on experimental values of six molecular constants of SO2, whereas the conventional explicit representations contain many adjustable coefficients determined from fitting a great number of experimental spectroscopic data or calorimetric data. The formulation representation of the molar entropy for SO2 is also developed from the Gibbs free energy representation. The predicted reduced molar Gibbs free energy and entropy values yield the average absolute deviations of 0.0750 % and 0.228 % from the data reported in the National Institute of Standards and Technology database at the pressure of 0.1 MPa and in the temperature range from 298 to 6000 K, respectively. The proposed formulation representation of the Gibbs free energy for SO2 can be valuable in practical engineering applications. (C) 2022 Published by Elsevier B.V.

Automated summary

This paper presents a novel formulation representation of the molar Gibbs free energy for sulfur dioxide (SO2) that relies solely on the experimental values of six molecular constants. In contrast to conventional explicit representations, which require fitting a large amount of experimental spectroscopic or calorimetric data, the proposed formulation eliminates the need for adjustable coefficients. Furthermore, the paper also develops a formulation representation of the molar entropy for SO2 based on the Gibbs free energy representation. The predicted values of reduced molar Gibbs free energy and entropy show low average absolute deviations from the data reported in the National Institute of Standards and Technology database, indicating the practical engineering value of the proposed formulation for SO2.