Table of Contents
Objective
This article outlines the options available for adding a custom species or phase to an OLI model by creating a private database using OLI tools. Two primary approaches are available: using OLI Databook and OLI Regression to build the database independently or requesting OLI’s team to develop the database for you. We will guide you through these processes and highlight the support that OLI provides.
How to Add a Custom Species/Phase in OLI
It is certainly possible to add a custom species or phase to model in OLI. This is accomplished by creating a private database using OLI Databook and, if needed, OLI Regression. OLI Databook serves as the platform for constructing this private database, allowing users to easily input species and phases.
At a minimum, the new species or phase will require essential thermodynamic parameters, such as enthalpy and entropy. If you have experimental or literature data available, OLI Regression, a command-line tool, can be used to perform advanced regression of these parameters. The regression process uses an input text file, constructed using OLI’s internal ASAP variables, to fine-tune the thermodynamic behavior of your system.
Options for Creating a Private Database
There are two main options for developing a private database:
1. User-Created Private Database
If you have access to experimental or literature data, or information on some thermodynamic properties directly, you can create a private database using OLI Databook and OLI Regression. Our support team is here to assist you with this process and can provide resources for training on the OLI Databook and OLI Regression tools.
2. OLI-Created Private Database
Alternatively, the OLI team can create a private database for you. Our Application Engineers can conduct a basic regression or data entry, or for a more thorough system evaluation, our Thermophysical Modeling Team can perform a rigorous analysis. This would fall under our consultancy services.
Conclusion
Whether you choose to develop a custom database on your own or with OLI's support, adding custom species or phases to an OLI model is a feasible process. OLI Databook and OLI Regression provide the tools for users to independently create databases, while OLI’s Application Engineers and Thermophysical Modeling Team are available for more comprehensive assistance. For guidance on this process, please contact OLI’s support team.