Guidance on adding new chemicals to database #1081
bryceconduitEQ
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Hi. Thes next step would be to fit parameters as was done in this thesis. |
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Great many thanks for this. |
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Hi,
I just getting started with Neqsim via the python interface. I see there are already some amines programmed into the databases. For planning purposes at this stage I'm trying to work out what would be required to add a new amino acid salt to the database - I would appreciate any guidance on this/literature/experimental data that is likely to be required.
https://github.com/equinor/neqsim/tree/master/src/main/resources/data
Thanks,
Bryce
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