Molecular Formulas as Trivial Property

[thebear9]

Since properties such as molar mass, critical temp, critical pressure, etc. can be retrieved based on the fluid name, why not add a feature to retrieve the formula?

std::string formula = CoolProp::get_fluid_param_string("Nitrogen", "Formula");

to return "N2"

Obviously, there would be some exceptions like air which doesn't have a molecular formula, but this feature would still be helpful.

[ibell]

That's a great idea. Can you put it together?

[ibell]

Looks like it should be pretty easy actually: http://chemspipy.readthedocs.org/en/latest/guide/gettingstarted.html

[thebear9]

That's a great solution! I meant to reply earlier, but I wanted to compile the formulas first. I'll look into your solution soon!

[ibell]

There's also this - http://cactus.nci.nih.gov/chemical/structure . I've heard its a lot more reliable. Looks like you can get back the chemical formula, and it can all be scripted. Do you use python?

[thebear9]

Ian,

Thanks for the additional details! I actually code in Objective-C and I've been working on bringing in CoolProp to my app, Chemical Engineering Appsuite. I should have an update to the app finalized by the end of the month.

https://itunes.apple.com/us/app/chemical-engineering-appsuite/id526158171?mt=8

Best,
Jason