Transfer-based models implementation in an equation oriented package

Abstract A general transfer based model for L-V and L-L operations was developed in our Equation-Oriented simulator CheOpe and used to analyze several EniChem processes. By the practical use we confirm that these models generally improve usability of a general-purpose simulator. Thanks to the cell approach of CheOpe we can easily analyze different equipment structures or change the level of detail of equipment. Several solution methods of Maxwell-Stefan equations and several effective methods have been implemented. By the analysis of the model behaviour on the basis of many industrial applications, we have found not very significant differences in simulation and design of some non reactive distillation columns using Maxwell-Stefan equations or simpler models that neglect interactions in the mass transfer rate equations. In simulation and design of a reactive system with fast reactions, reaction-transfer interactions cannot be neglected, but often approximate models analytically solved give results as good as more complex models.