Yes, use the electrolyte NRTL as the thermodynamic method. And as Khalid mentioned you must specify all the ions. The database in ASPEN has many common ionic components but if you need more then you need an add on ion components database. In ASPEN go to the Electrolyte Wizard. It will help you.
Aspen Plus is a widely used process simulation software primarily focused on chemical processes involving thermodynamics, unit operations, and steady-state simulations. While Aspen Plus does not have built-in capabilities specifically designed for modeling electrochemical reactions, you can still incorporate electrochemical reactions into your simulation by utilizing its customization features.
Here are a few approaches you can consider:
Custom Unit Operation Models: Aspen Plus allows you to create custom unit operation models using its Aspen Custom Modeler (ACM) feature. With ACM, you can develop your own models, including electrochemical reaction models, by implementing the necessary equations and algorithms. This requires a good understanding of the underlying electrochemical principles and equations governing the reaction kinetics, mass transfer, and other relevant phenomena.
External Software Integration: If you have access to specialized electrochemical modeling software, such as COMSOL Multiphysics or GAMBIT, you can integrate these tools with Aspen Plus. You can run the electrochemical simulations in the external software, obtain the results, and then import them back into Aspen Plus for further process simulation. This approach allows you to leverage the capabilities of dedicated electrochemical simulation tools while still utilizing Aspen Plus for process simulation.
User-Defined Models (UDMs): Aspen Plus offers a feature called User-Defined Models (UDMs), which allows you to incorporate user-defined equations and algorithms into the simulation. You can implement your own electrochemical reaction model as a UDM using Aspen Plus's UDM interface. This approach requires programming skills and a deep understanding of the electrochemical reaction system.
It's important to note that accurately modeling electrochemical reactions involves considering various factors, including electrode kinetics, mass transport, and electrochemical cell design. You may need to develop customized models or utilize specialized software that caters specifically to electrochemical systems to achieve accurate and reliable simulations.
Before proceeding, I recommend consulting literature and resources on electrochemical modeling, discussing with experts in the field, or exploring other process simulation software options that are specifically designed for electrochemical reactions, such as COMSOL Multiphysics or HYSYS Electrolyzer.