Points forts de COMSOL Multiphysics^® 6.3

For users of the Electrochemistry Module, COMSOL Multiphysics^® version 6.3 introduces a new interface to model transport in any electrolyte solution, new capabilities for parameter estimation, and two new tutorial models. Read more about these updates below.

Concentrated Electrolyte Transport

A Concentrated Electrolyte Transport interface is now available for modeling transport in any electrolyte solution with an arbitrary number of charged and uncharged species. This electrochemistry interface is based on concentrated solution theory, where the transport equations are defined using binary Maxwell–Stefan diffusion coefficients assuming local electroneutrality. In contrast to the Nernst–Planck equations, the concentrated solution theory does not assume the electrolyte species to be diluted in a neutral solvent of constant concentration. Typical electrolytes that can be modeled include ionic liquids, salt melts, and highly concentrated solutions featuring nonnegligible concentration gradients of the charge-carrying species. The new Molten Carbonate Transport tutorial model showcases this functionality.

Parameter Estimation

The Parameter Estimation study step and the BOBYQA, Levenberg–Marquardt, and IPOPT optimization solvers are now available in the Electrochemistry Module. Parameter estimation is used for determining model parameters by fitting simulations to experimental data.

Result Templates in the Chemical Species Transport Interfaces

Creating useful and visually appealing plots of reacting systems can be time consuming since there are often many reactants and thus many concentration fields to plot. To save time, there are a number of new Result Templates in the Chemical Species Transport interfaces. Among these, plot array templates are now available that include up to four species concentrations simultaneously in the Graphics window. The Result Templates are available for all Chemical Species Transport interfaces, independent of the add-on product, but are especially useful for the multicomponent transport interfaces included in the modules for chemical engineering as well as in the CFD Module, Porous Media Flow Module, Subsurface Flow Module, and Microfluidics Module.

New Tutorial Models

COMSOL Multiphysics^® version 6.3 brings two new tutorial models to the Electrochemistry Module.