ABSTRACT
In chemical process modeling and simulation, the degree of accuracy of thermodynamic properties, phase equilibria, mass and heat transfer, and chemical reactions mainly determines the quality of the model and simulation. Since these parameters are strongly influenced by thermodynamic relationships, a proper application of chemical engineering thermodynamic principles is an essential requirement of successful process modeling and simulation. Chemical engineering thermodynamics deals with real substances whose properties are not entirely known from experiment at all possible temperatures and pressures and therefore are approximations described by model equations. These equations include volumetric equations of state that interrelate pressure, volume, and temperature, and equations that relate activity coefficients to compositions. Practicing engineers often need to solve problems even when descriptions of physical properties are imperfect, and a selection of the equation of state or activity coefficient model must be made. Typically, the equations of state and activity coefficient models used in chemical engineering thermodynamics are not simple linear algebraic equations, so computations involving them may be difficult.
The main objective of this chapter is to provide readers with various thermodynamic models and corresponding MATLABⓇ programs that have already been found – or potentially could become – useful in academic and industrial applications. The MATLAB programs in this chapter can be used in undergraduate or graduate courses on chemical engineering thermodynamics, provided that students have a prerequisite understanding of the fundamentals of chemical engineering. Researchers and practicing engineers in the field of chemical engineering can use these MATLAB programs in the modeling and simulation of chemical processes.
