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:

"thermodynamicFramework": "MSE (H3O+ ion)"

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