Thermodynamic analysis for synthesis of advanced materials

In this paper, thermodynamic modeling for materials-oriented chemical engineering systems were investigated in order to solve critical scientific problems, such as the material structure, chemical properties, thermodynamic properties, and transfer behaviors on the interfaces or under confined circumstances. On the basis of the theory and approaches of chemical engineering, and the principles of chemical engineering thermodynamics and transfer processes, molecular simulations were combined with modern physical characterization methods to study thermodynamic modeling in materials-oriented chemical engineering processes.