pseudocompound module

Pychemqt let user define new compounds from a mix of unknown compounds, specially used from petroleum fractions.

pseudocompound

The pseudocompound can be defined using several options:

  • Using distillation curve (D86, TBP, SD, D1186, EFV)

  • Using a petroleum fraction from database

  • Define the bulk properties of compound

Clicking the save button add the created compound to the user database and can be used in main program as a normal compound.

Configuration

Its possible configure the used methods to calculate the properties:

  • Molecular weight

  • Critic properties

  • Critic volume

  • Acentric factor

  • Critic compresibility

  • Boiling temperature

  • Specific gravity (SG)

  • Refractive index

  • PNA (paraffins, naphthenes, aromatics) composition

  • Destilate curve conversion

  • Hydrogen composition

API reference

The implementation is splitted in several modules: