https://github.com/ccsi-toolset/sorbentfit
Sorbent kinetic/equilibrium model code for parameter estimation for the 1st generation sorbent model.
https://github.com/ccsi-toolset/sorbentfit
basic-data-fitting
Last synced: 8 months ago
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Sorbent kinetic/equilibrium model code for parameter estimation for the 1st generation sorbent model.
- Host: GitHub
- URL: https://github.com/ccsi-toolset/sorbentfit
- Owner: CCSI-Toolset
- License: other
- Created: 2017-06-23T20:35:27.000Z (almost 9 years ago)
- Default Branch: master
- Last Pushed: 2022-06-17T16:00:29.000Z (about 4 years ago)
- Last Synced: 2025-01-21T19:41:06.327Z (over 1 year ago)
- Topics: basic-data-fitting
- Language: C++
- Size: 3.49 MB
- Stars: 1
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE.md
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README
# 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](docs) subdirectory.
## Authors
* Keenan Kocan
* David Mebane (project lead)
* Brian Logsdon
* Conor Pyles
See also the list of [contributors](../../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](http://semver.org/) for versioning. For the versions available,
[releases](../../releases) or [tags](../..//tags) on this repository.
## License & Copyright
See [LICENSE.md](LICENSE.md) file for details