SorbentFit

Sorbent kinetic/equilibrium model code for parameter estimation for the 1st generation sorbent model. This contains the Sorbentfit suite of routines that fit combined thermodynamic and kinetic models of amine-based CO2 solid sorbents to laboratory and bench-scale data. There are two levels of models included with the code: a lumped kinetic model and a reaction-diffusion model with zwitterion chemistry. The lumped kinetic model is faster, while the reaction-diffusion model is more accurate. Both models can be fit to thermogravimetry and fixed-bed data. Fits can be either point estimates of parameters, achieved using a particle swarm optimizer, or Bayesian calibration, which results in a distribution of parameter values. Sorbentfit does not require any third-party software; it runs in Windows, Mac and UNIX/Linux operating systems.

Getting Started

See installation and user guide documents in the docs subdirectory.

Authors

Keenan Kocan
David Mebane (project lead)
Brian Logsdon
Conor Pyles

See also the list of contributors who participated in this project.

Development Practices

Code development will be peformed in a forked copy of the repo. Commits will not be made directly to the repo. Developers will submit a pull request that is then merged by another team member, if another team member is available.
Each pull request should contain only related modifications to a feature or bug fix.
Sensitive information (secret keys, usernames etc) and configuration data (e.g database host port) should not be checked in to the repo.
A practice of rebasing with the main repo should be used rather that merge commmits.

Versioning

We use SemVer for versioning. For the versions available, releases or tags on this repository.

License & Copyright

See LICENSE.md file for details