Comment by Composite Analytica on 13 Dec 2009 at 14:20:28
Thanks for this post (we will definitely place this one in FAQ's for the software!).
Multicomponent solubility and diffusion can be evaluated with CheFEM. The species data that is required for the lattice based thermodynamical and diffusion routines, are free volume, chemical interaction parameters (Hildebrand* solubility parameters) and density. For all species and polymers this data is available within existing literature and within the CheFEM simulation device.
Regarding chemical reactions: these have partly been programmed but can also be backed-up with existing library information. For example, with the library for corrosion reaction of metals is based on the second edition of the Handbook of Corrosion Data from ASM Internationals (edited by Bruce D. Craig and David B. Anderson). For reaction rates of e.g. fibre sizings more specific routines are used.
Hope this helps at this point. Please do not hesitate to contact us for more information (case studies etc.)
* Please check the tables in the support section for a small overview.