Maybe COMSOL Multiphysics is able to do these kind of simulations .Long ago I saw an example of these modeling in COMSOL. Anyway maybe it is a good idea to consult with one of expert in the software company first .
For simulating 1D LC separations this software from Pete Carr just came out recently. It may not do exactly what you want, but it may be useful. You can find it at http://www.hplcsimulator.com/
Hi Teresa, You can take a look at the model tutorial at: http://www.comsol.com/showroom/gallery/198/
I am currently using Comsol to model solid phase extraction but in different format. I hope, the tutorial will help you to understand if Comsol works for your system.
Dear Teresa, you can take multivariate curve resolution tutorial ,Solving curve resolution problem using MCR algorithom ,user friendly, free download at that web pahe.http://www.ub.es/gesq/eq1_eng.htm.
Software give a set of m-phile that facilitate the exploration in context of despersive equilibrium model