Skip to content
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

Suspicious viscosity parameters for solvents #641

Closed
jonwzheng opened this issue Mar 18, 2024 · 3 comments
Closed

Suspicious viscosity parameters for solvents #641

jonwzheng opened this issue Mar 18, 2024 · 3 comments

Comments

@jonwzheng
Copy link
Contributor

Overview

Numerous viscosity correlations in the RMG database are suspicious / lead to strange viscosity values, see (by solvent order):
197: N,N-dibutylbutan-1-amine
169: ethane-1,2-diol
161: 2-(2-hydroxyethoxy)ethanol
139: pentane-1,5-diol (to a lesser extent)
138: butane-1,4-diol (to a lesser extent)
137: propane-1,3-diol (to a lesser extent)
133: 1,1,2,2-tetrabromoethane
111: 2-methoxy-2-methylbutane
104: pentan-2-ol
102: 2-ethoxyethanol
98: 2-ethylhexan-1-ol
96: 4-methylpentan-2-ol <note, this is so high that it leads to an overflow error>
86: 1,2,4-trimethylbenzene
79: butan-2-ol
76: hexafluorobenzene

Solution

Someone should double-check these values - I don't currently have access to the original print resource (Viswanath, D. S., Ghosh, T. K., Prasad, D. H. L., Dutt, N. V. K., and Rani, K. Y. (2007) Viscosity of Liquids. Springer, The Netherlands: Dordrecht.).
We can also just replace the suspicious solvents with values from DIPPR which are easily accessible to us and might be more accurate?
Are we also sure that the values from the Viswanath manuscript match the functional form used in RMG?

@jonwzheng
Copy link
Contributor Author

It doesn't look like these are due to typos from parsing the digital reference. And the T values are in the valid T range.
I wonder if there's an OCR issue? I requested a copy of the original hardcover to double check...

@jonwzheng
Copy link
Contributor Author

jonwzheng commented Mar 20, 2024

The OCR is fine; these are just typos in the original print source.

Using the supplied viscosities given at reference temperatures, I was able to figure out typos in the correlations, verifying that fixing them gives the same value.

For example, 79: butan-2-ol: the A parameter should be -106.38 rather than -10.638. I will submit a PR that fixes these.

@jonwzheng
Copy link
Contributor Author

Fixed in #642

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant