question-mark
Stuck on an issue?

Lightrun Answers was designed to reduce the constant googling that comes with debugging 3rd party libraries. It collects links to all the places you might be looking at while hunting down a tough bug.

And, if you’re still stuck at the end, we’re happy to hop on a call to see how we can help out.

Where I can find the binary interaction parameters

See original GitHub issue

Hi CalebBell,

Where is your binary interaction parameters databank, I just found this in your code, are they generated by the code? I know Aspen and ProII have a lot binary parameters, so just confused about this.

if kijs is None: kijs = [[0]*self.N for i in range(self.N)] self.kijs = kijs

Issue Analytics

  • State:closed
  • Created 6 years ago
  • Comments:9 (3 by maintainers)

github_iconTop GitHub Comments

1reaction
CalebBellcommented, Aug 8, 2017

Hello longcloud,

I appreciate the offer of help and the compliment. The following are all ways that you could contribute to thermo:

  • Find places the results from thermo don’t seem right to you and submit bugs
  • Find inputs that raise exceptions to thermo where they shouldn’t
  • Request features (It is useful to know what people are interested in, even if I can’t make any promises about adding them)
  • Write examples; for example performing some type of analysis on a chemical or mixture
  • Find new sources of digital and reasonably licensed chemical data
  • Promote thermo to engineers who might be interested in using Python

I would be very thankful if you looked into any of them.

Sincerely, Caleb

0reactions
CalebBellcommented, Feb 15, 2021

Hi all, There is a small sample database in the development version of thermo now, https://github.com/CalebBell/thermo/blob/master/thermo/interaction_parameters.py with data from ChemSep.

Interaction parameters won’t be loaded by default; it is left to the user to load them, or use their own, or a combination of the two. You can see the variant.

I don’t know much about bk10 but I suspect it is quite obsolete.

Sincerely, Caleb

Read more comments on GitHub >

github_iconTop Results From Across the Web

Binary Interaction Parameters - whitson wiki
The binary interaction parameters (BIPs) are a set of correction terms to the mixing rule for the model parameter " " in the...
Read more >
Predicting NRTL Binary Interaction Parameters from Molecular ...
We show that the binary interaction parameters determined from simulations are in qualitative agreement with those estimated from regressing experimental data.
Read more >
Prediction of the Binary Interaction Parameter of Carbon ...
The interaction parameters between two components need to be first determined to obtain the thermophysical properties of the binary mixtures ...
Read more >
Generalized binary interaction parameters for the Peng ...
The accurate description of phase equilibrium from a CEOS often requires adjustable parameters in the mixing rules, which are referred to as the ......
Read more >
What are the binary interaction parameters for Peng Robinson ...
The binary interaction parameters are key constants used to predict the solubility of solute in supercritical fluid solvent. There are research ...
Read more >

github_iconTop Related Medium Post

No results found

github_iconTop Related StackOverflow Question

No results found

github_iconTroubleshoot Live Code

Lightrun enables developers to add logs, metrics and snapshots to live code - no restarts or redeploys required.
Start Free

github_iconTop Related Reddit Thread

No results found

github_iconTop Related Hackernoon Post

No results found

github_iconTop Related Tweet

No results found

github_iconTop Related Dev.to Post

No results found

github_iconTop Related Hashnode Post

No results found