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Inorganic thermodynamics software?

Inorganic thermodynamics software? - Chemistry Forum

Inorganic thermodynamics software? - Chemistry Forum. Discuss chemical reactions, chemistry.


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  #1  
Old 10-24-2003, 10:28 AM
Alan Walker
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Default Inorganic thermodynamics software?



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
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  #2  
Old 10-24-2003, 06:29 PM
Mike D2
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Default Inorganic thermodynamics software?

Try an Ellingham Diagram. Quicker and easier.

"Alan Walker" <[Only registered users see links. ].au> wrote in message
news:5cb9c6e4.0310240228.7a3b2e6d@posting.google.c om...


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  #3  
Old 10-25-2003, 04:21 AM
Jack Ferman
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Default Inorganic thermodynamics software?

In article <[Only registered users see links. ] >,
[Only registered users see links. ] (Alan Walker) wrote:


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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