Unmixing does not work

[MichaelZ20]

Hi David!
Unmixing does not work now. Running the attached file produces the following WARNING: "2 delta equal NaN".
With PfW there is no problem.
Is it possible to fix the problem?

Code: [Select]

SOLUTION 1 
-units mmol/kgw
pH 7 charge 
density 1 calculate
Na  100
Cl  100
water 1 kg       
END

SOLUTION 2 Pure water
pH 7 charge
density 1 calculate
END

MIX 1           
1   1.0
2  -0.9         
END

[dlparkhurst]

Yeah, that looks like a bug. Use the following instead, and I'll see if I can fix the error in the next release.

Code: [Select]

SOLUTION 1
-units mmol/kgw
pH 7 charge
density 1 calculate
Na  100
Cl  100
water 1 kg       
END

SOLUTION 2 Pure water
pH 7 charge
density 1 calculate
END

SOLUTION_MIX 1           
1   1.0
2  -0.9   
END
RUN_CELLS
-cell 1     
END


[MichaelZ20]

Thank you, David!
What is the difference between MIX and SOLUTION_MIX?
How does the SOLUTION_MIX work in this case?

[dlparkhurst]

SOLUTION_MIX does not automatically perform a reaction calculation, whereas MIX does.

The logic for mixing should be the same between the two, but is not. I will fix it so that both perform the same mixing. However, MIX will still generate a reaction calculation in the output file, whereas SOLUTION_MIX simply generates a new solution internally, which can be used in subsequent calculations.

[MichaelZ20]

Thank you, David!