Within the CAPE-OPEN 2018 Annual Meeting, Bjørn MARIBO-MOGENSEN (Hafnium Labs) describes (PDF, 361 Kbytes) how CAPE-OPEN revised interface specification for Chemical Reactions enables the simulation of processes involving reactive electrolyte mixtures.
After highlighting relevant positions he has held or is presently in, Bjørn lists the topics that he touches upon during his talk: it starts with understanding that reactive electrolyte systems are tough to model accurately, especially since no predictive models exist, leading to extensive parameter estimation studies being necessary. While some process simulators already have a number of models for electrolyte mixtures, it may be necessary to develop and integrate a customized model. Instead of relying on vendor-specific interfaces for integrating custom-made electrolyte models in a particular simulator, new integrations could utilize the revised CAPE-OPEN Chemical Reactions interface specification which has greatly improved the support for electrolyte systems. Still, this supposes that PME vendors adopt the revised interface specification and that adoption needs to be triggered somehow.
Bjørn goes on detailing each of the above topics with examples, including a description of the most important aspects of the new CAPE-OPEN Chemical Reactions interface specification and its application to the modelling of electrolyte systems.
Bjørn finishes his talk by announcing that Hafnium Labs is building Epsilon, a predictive electrolyte model that will support the new CAPE-OPEN interfaces.