How to include molar volume into Nasa database species

[Noxical]

Description

Hello,

I am back into Reakoro after long holiday ;)

I have question regarding adding molar volume to nasa database. Currently when using the nasa database, the molar volume is not included (for liquid and solids).
However, I want to add molar volumes to each species by adding constant Vm value/ or better interpolation valules.
Is it possible to add this to the nasa database via python?
I know I can add the molar volume by creating a new species using StandardThermoModel with interpolation. However in that case I cannot use the Nasa database.

Regards,
Ruud

Example

I tried something like:'

param = rkt.StandardThermoModelParamsConstant
param.V0 = 7.1e-6
model = rkt.StandardThermoModelConstant(param)

but don't really know how to add to Nasa db species

What is your operating system?

None

Additional Information

No response

[allanleal]

Hi @Noxical, welcome back! Apologies for not replying earlier. For this to work, we would need to add a V0 member in StandardThermoModelParamsNasa and the use this value when computing the standard molar volume of the species at given temperature and pressure.

The NASA-CEA database does not contain this information, and this motivated this design. But it would be better to have this value in StandardThermoModelParamsNasa. Let me know what you did in the meantime to overcome this.

[Noxical]

He Allen, thanks. Makes sense. For now I actually assume that solid and liquid volumes are constant and basically do not include volume/pressure variations for solids/liquid. Which actuall for most of the problems within metallurgy is acceptable. But if it will I will post something in this thread to followup ;)

[allanleal]

Hi Noxical, thanks for letting me know. I created Issue #317 based on this discussion.