lib.newComponent module¶
Pychemqt let user define new compounds using any of implemented group contribution
Each method use different group to define compounds, including same of that second/third order group for a better definition of compound. But basically the user interface is similar por all
Only the group list are the mandatory input parameters, we can too define a name, or fix properties like boiling temperature, molecular weight or specific gravity. When the definition is completed it’s possible show the calculated properties of new compound
Clicking the save button add the created compound to the user database
API reference¶
- Base classes with common functionality
newComponente: Base class for new component definitionGroupContribution: Common group contribution functionality
- Other methods:
cpLS_Hurst: Liquid-Solid heat capacities using the Hurst-Harrison method
The group contribution methods available include:
