-
Notifications
You must be signed in to change notification settings - Fork 14
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
Regarding regress pure component param and interaction param for new components #10
Comments
Hi Funkps, I;m not really sure if H2O2 has been modelled before in the literature but my guess is that it should be treated similar as water. That is for SAFT-gamma-Mie, to define a new group 'H2O2', you would need PVT data to fit the molecular parameters. Also, you should have to decide which association scheme to use. Hope that's helps, |
Hi, thanks for advice. H2O2 has not been modelled before using saft in the literature. I'll try to treated differently just like h2o. And it seems just like h2o, there will be a lot of work to do for adding the Interaction param between h2o2 and other specifices. |
Hello, maybe not suitable for posting here.
I'm currently wondenring for a new component such as H2O2, if I need to regress and check the phase equilibrium between H2O2 and methanol.
The first step is try to add a new componetn H2O2 into the database along with the regressed pure component data. From the group point of view, will H2O2 = OH + OH work? if this works, than maybe we need to follow the example 14_fit_phase_equilibria_cross_association_water_ethanol?
Thansk.
The text was updated successfully, but these errors were encountered: