I'm working on the ternary U-Zr-O system and I need to convert all the experimental data in the same form, namely in mol% of the pure elements.
I don't know if the procedure:
mol%(Zr)inZrO2=0.33*mol%(ZrO2) , mol%(O)=0.67mol%(ZrO2)
then
mol%(U)
mol%(Zr)=mol%(Zr)pure+mol%(Zr)inZrO2
mol%(O)=mol%(O)inZrO2
Is this correct?
Use a basis, a table, and unit analysis ...
Basis: 100 mole compound with n% ZrO2 + u% U + z% Zr
X ........ mol X .... mol U .... mol Zr ....mol O
ZrO2 ...... n ........ 0 ........ n ........ 2n
U ......... u ........ u ........ 0 ........ 0
Zr ........ z ........ 0 ........ z ........ 0
--
total ........ ........ u ........ n+z ........ 2n = u + 3n + z
Find mol fraction of each as moles of component divided by total moles.
U: u / (u + 3n + z)
Zr: (n+z) / (u + 3n + z)
O: 2n / (u + 3n + z)
The above can be set in a spreadsheet or programmed in a calculator as a function to return the elemental composition for any base composition of components.
Shouldn't be
U: u / (u + 3n + z)
Zr: (z+n) / (u + 3n + z)
O: 2n / (u + 3n + z)
?
Thank you again
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