Incorporating Molecular Modeling Into the Chemical Engineering Curriculum
At the Colorado School of Mines, molecular modeling and simulation techniques are being incorporated into the curriculum beginning with the first courses in organic and physical chemistry and continuing through several of the mainstream ChE courses. A required capstone course in molecular simulation theory and methods has recently been added that presents a comprehensive overview of the use of simulation techniques, including estimation of thermochemical and reaction rate data, sorption equilibria and diffusion rates, and prediction of transport properties. This paper details efforts with respect to incorporation of molecular simulation in the chemistry and ChE course sequences at CSM. Examples of some of the computational exercises are presented and discussed.