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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

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

CalebBellcommented, Feb 15, 2021

Hi all, There is a small sample database in the development version of thermo now, 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

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