Research methods of chemical thermodynamics

Statistical mechanics combined with the method of constructing semi-empirical model plays an increasingly important role in the development of chemical thermodynamics. It makes chemical engineering thermodynamics based on the basic laws of thermodynamics not limited by classical thermodynamic methods when solving its main problems. Statistical mechanics is based on the microscopic model of matter, and deduces the relationship between microstructure and macroscopic properties by statistical methods, such as the p-V-T relationship from the potential energy function and radial distribution function of intermolecular interaction. However, due to the complex molecular structure, statistical mechanics can only deal with relatively simple situations at present. For more complex practical systems, we should first simplify, establish some semi-empirical mathematical models, and use experimental data to regression model parameters. This method has been widely used in the study of state equation and activity coefficient equation.