Skip to content

This issue was moved to a discussion.

You can continue the conversation there. Go to discussion →

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Neon with quantum-corrected PR #208

Closed
ianhbell opened this issue Sep 26, 2023 · 5 comments
Closed

Neon with quantum-corrected PR #208

ianhbell opened this issue Sep 26, 2023 · 5 comments

Comments

@ianhbell
Copy link
Contributor

In the paper of Aasen they select the FH1 model for neon, but Clapeyron uses the empirical parameters instead. Is there a reason why? Thermopack seems to match the values in the paper

@pw0908
Copy link
Member

pw0908 commented Sep 26, 2023

There wasn't a particular reason. I think we were just benchmarking and picked one set of parameters. You can specify your own set of parameters using the userlocations argument to use the FH1 set of parameters. At the end of the day, the functional form for beta remains unchanged and the AADs weren't that massively different. We couldve probably supported the explicit FH1 and FH2 forms for this cubic, but these lose the benefits of a cubic.

@ianhbell
Copy link
Contributor Author

I guess my thought was if you are going to pick one it would make sense to follow their model selection to match the defaults in ThermoPack (what I am comparing against as we speak). I added this model to teqp a couple of days ago.

@pw0908
Copy link
Member

pw0908 commented Sep 26, 2023

We just benchmarked against the paper at the time since there was no thermopack back then. I am wondering why the empirical model wasn't the best for all cases? Since the FH1 and FH2 are just further-constrained versions of the empirical model.

@ianhbell
Copy link
Contributor Author

I agree I had the same question

@pw0908
Copy link
Member

pw0908 commented Sep 26, 2023

This is more of a discussion than an issue; I'll just convert it

@ClapeyronThermo ClapeyronThermo locked and limited conversation to collaborators Sep 26, 2023
@pw0908 pw0908 converted this issue into discussion #209 Sep 26, 2023

This issue was moved to a discussion.

You can continue the conversation there. Go to discussion →

Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants