Re: automating mole fractions
Evgenii Rudnyi
> In the file outNH3.mod, I am also trying to automate the
> calculation of the mole fractions of each element, meaning the user
> needs only to enter the initial number of moles of the elements (N2
> and H2), and tdlib will compute the increment of the NH3 mole fraction
> in steps of x=0.1, but it didn't work out well. Is it actually
> possible to automate the calculation of mole fractions in XML or
> should I create a new model (with C++) in the library?
TDLIB uses the equation
Sum_i x_i = 1
to compute one of the mole fractions. What else could be automated?
I agree that ComputeOutput object is quite primitive. It was programmed
long time ago. It is possible to change it or create a new object but
first it is necessary to make a new design.
I have looked at your file and it seems that everything is correct. One
needs to define some path and then move mole fractions along this path.
However, I am not sure if I completely understand your goal and your
problem here. It would be good to start with equations. Could you please
write what do you want to compute in equations?
Best wishes,
Evgenii