(365b) Maxwell and Marco: Thermophysical Property Needs of Rate-Based Process Simulation Tools

Process engineers have been using the well-known equilibrium stage column model for more than a century. More recently, some engineers, including the late Marco Satyro have adopted a more fundamental approach based on the use of the Maxwell-Stefan equations to describe mass transfer. However, any illusion that these so-called rate-based models do away with the need for thermodynamics should be dispelled immediately. In fact, the reverse is true: the need for accurate thermodynamic models is greater than ever with these models supplying not only first order properties such as equilibrium ratios and enthalpies, but second order properties as well since thermodynamics plays a key role in the prediction of diffusion coefficients, an essential component to rate-based models and an area where thermodynamics is somewhat less definitive. In addition, rate based models place increased emphasis on transport properties, something that is entirely irrelevant to a true equilibrium stage model (but is necessary for actual process equipment design). This talk presents one long time rate-based modelers perspective on what is needed for superior process simulation models to be developed.