Inorganic thermodynamics software?

Oct 24, 2003 2 Replies

I need to do some equilibrium calculations for various mixtures of metal oxides and metal silicates at high temperature and low oxygen fugacity, to see which might be reduced to the metal.



To my surprise, a web search turned up many software packages that might do the job.



I'm hoping the gurus here might suggest some that are particularly useful.



Thanks



Alan Walker


Try an Ellingham Diagram. Quicker and easier.

You can look up the enthalpys, entropys, and heat capacitys in handbooks like Kubachewshi & Evans. If you are apt to have more than one phase state, you may have to include the positional entropy. Handbooks only give you third law entropys.

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