Set Thermodynamic Framework
In the OLI Platform, there are three thermodynamic frameworks: Aqueous (H+ ion), MSE (H3O+ ion), and MSE-SRK (H3O+ ion). Users can select the framework that best suits their chemistry.
| framework | JSON string value | description |
|---|---|---|
Aqueous (H+ ion) | Aqueous (H+ ion) | Aqueous |
MSE (H3O+ ion) | MSE (H3O+ ion) | Mixed Solvent Electrolyte |
MSE-SRK (H3O+ ion) | MSE-SRK (H3O+ ion) | Mixed Solvent Electrolyte – Soave Redlich-Kwong |
The thermodynamic framework is a mandatory field, and its value must exactly match the data in the 'JSON string value' column.
The thermodynamic framework JSON string is a unique value comprising the official name of the thermodynamic framework. This name aligns with those used in OLI Studio, accessible via OLI Studio -> Chemistry -> Model Options -> Databanks. Public databanks associated with a framework are automatically loaded upon selection of a thermodynamic framework.
Here is an example of the thermodynamic framework field:
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