Computational power and ion-exchange modelling

摘要

Over the past half-century, researchers have commented on the complexities of ion-exchange processes, but have been forced to use gross assumptions to simplify the associated mathematics sufficiently for mathematical models to be of practical use, given the available computational power. This paper reviews the development of increasingly complex models as computational power has increased over the past half-century, from the direct application of Fick's Law in 1947, through to today's models requiring finite-element methods. The assumptions required for and the associated limitations of the various models are presented and the associated computational complexities are discussed. A case study is presented in which a continuous loss of capacity in an acid resin was observed over about sixty cycles of loading and elution. Resin poisoning does not explain this observation. This paper presents the capacity loss data, speculates on possible causes of the phenomenon, discusses why conventional kinetic and equilibrium mechanisms cannot explain it and concludes that the need to develop a more rigorous model is apparent. The significance of this observation is that standard tests done for a new resin application could significantly overestimate the commercial performance of the resin concerned, highlighting the importance of computer simulation in this field of process engineering.