Steps in the Pure Compound Evaluation Process

Click here for a list of properties that may be evaluated: Properties

Note: It may not be possible to evaluate all properties for some chemical systems.

SELECT A COMPOUND

Review/Edit experimental data (Optional)

Addition of user data (Optional)

EVALUATE: Data fitting and consistency enforcement by TDE

Note 1: Alternative paths to enthalpy-of-formation and absolute entropy values may be possible with certain types of reaction data involving the target compound. A query to the user appears at this step, if such reaction data are available in TDE-SOURCE.

Note 2: In a few cases, TDE will not provide evaluated data for a specific property even though some experimental data exist for that property. This can occur when a fitted equation is detected to have an invalid shape (i.e., erroneous temperature or pressure dependence).

Review graphs of evaluated property values (Optional)

Review/Request tables of evaluated property values (Optional)

Review/Request alternative fitting equations (Optional)

SAVE experimental and evaluated data (Optional)

APPLY an EQUATION OF STATE (EOS) (Optional)

Review graphs of evaluated property values (Optional)

Review/Request tables of evaluated property values(Optional)

SAVE EOS parameters and evaluated data (Optional)

You may Edit or Add experimental data and repeat the evaluation steps as needed.