Post
by Bernd » Tue Jun 14, 2016 12:20 pm
Dear Vishal,
Welcome to the MICRESS forum. Please retry to register so that you can use your own account for further discussions.
I shifted your post to the new forum "General Concepts/Other Applications) which has been created some weeks ago and where it fits better. Here, I would like to have discussions about the general capabilities and limitations of MICRESS and which are the fields where it could be successfully applied in future.
In principle, MICRESS can be applied to different types of materials like alloys, ceramics and electrolytes. But, apart from the question where to get thermodynamic information from, there is a strong limitation in the fields of electrochemistry when electric fields are involved. This is always the case in electrochemical reactions like electrolysis or electrode reactions in a fuel cell, but can also be important for simple diffusion processes in an electrolyte: if charges species are subject to a diffusion process, this results in an electrical potential difference (diffusion potential). But, it always depends on the specific case whether it is possible or not to work around this limitation...
A second limitation (which is linked to the first one) is that MICRESS does not handle charge neutrality. Thus, only databases can be used which implicitly assure neutrality like it is the case e.g. in the "IONIC_LIQUID" phase model.
Which are the materials and relevant processes in your case?
Bernd