Generating chemistry model files

What is a chemistry model file?

The chemistry model file contains the chemical components and the associated thermodynamic parameters that the user has selected for their system. The OLI Software database contains several thousand species and several hundred thousand parameters. The user will be interested in only a portion of these, and so a subset of this database to run the calculation. This "subset" is called the Chemistry Model. As the user chooses, for example NaCl, acetone and hexane as inflows, the software retrieves the relevant species and parameters and places them into this file. It has the extension of .dbs. The file is updated each time a new component is added or if one is removed. The chemistry model file essentially encapsulates all of the chemistry data based on the chosen thermodynamic framework, inflows and other settings.

Generating a chemistry model file

In order to run any of the calculations right now the user needs to obtain a chemistry model file. Currently the API(s) do not support generating the file. It has to be obtained from one of OLI's desktop products namely OLI ChemistryWizard, OLI Studio or OLI Flowsheet.