Multi element Pourbaix Diagram

[Arpit_Bhardwaj]

Hello all,

I’m confused regarding the solid ratio we need to specify for generating Pourbaix diagram. How can we compare it to a general Pourbaix diagram that we get experimentally, since we don’t have to provide any ratio in those diagram.

Is the ratio used for mass balance, like if we know the solid ratio in the solution, we can use it for the Pourbaix diagram? If not known in the beginning is there a default ratio we should use?

[Joseph_Montoya]

Hi Arpit, sorry for the delayed response. I’d recommend reading this thread, in which Wenhao Sun provides a nice overview and some references for Multi-Element pourbaix diagrams. The short answer is that the ratio is required for normalization in the case where the physical boundary conditions are “around” the solid phase.

Multi-Element Pourbaix Diagram: Species Selection and Mass Balance

Hello, I am a graduate student hoping to learn more about the generation of multi-element Pourbaix diagrams. Specifically, I was wondering how the selection of species is chosen for each stability region? Species selection was not clear to me upon looking at the documentation and wiki for Materials Project’s Pourbaix Diagrams App, and when looking up the paper by Thompson et al on Multi-Element Pourbaix diagrams listed as a reference. For an n element diagram, I understand that the species are …