# ClassicIsotherms
ClassicIsotherms is a Python module that provides implementations of various classic adsorption isotherm equations. It allows you to calculate the loading and deviations for different isotherm models based on pressure, temperature, and parameters.
## Installation
You can install ClassicIsotherms using pip:
```shell
pip install classic-isotherms
```
## Usage
```python
import ClassicIsotherms
# Create an instance of ClassicIsotherm
isotherm = ClassicIsotherms("freundlich")
# Calculate loading for a given pressure, temperature, and parameters
pressure = 1.5
temperature = 298.15
parameters = [2.0, 1.5]
loading = isotherm.get_loading(pressure, temperature, parameters)
print("Loading:", loading)
# Calculate loadings for multiple pressures
pressures = [1.0, 2.0, 3.0]
loadings = isotherm.get_loadings(pressures, temperature, parameters)
print("Loadings:", loadings)
# Calculate deviation using a specific deviation function
experimental_loadings = [0.5, 1.0, 1.5]
deviation_equation = "SSE"
deviation = isotherm.get_deviation(pressures, experimental_loadings, temperature, parameters, deviation_equation)
print("Deviation:", deviation)
```
# Supported Isotherm Models
The following classic adsorption isotherm models are currently supported:
- Freundlich (`'freundlich'`)
- Langmuir (`'langmuir'`)
- Redlich-Peterson (`'redlich-perterson'`)
- Sips (`'sips'`)
- Toth (`'toth'`)
- Unilan (`'unilan'`)
- Keller-Staudt-Toth (`'keller-staudt-toth'`)
# Supported Deviation Methods
The following deviation methods are currently supported:
- Sum of Squared Errors (`'SSE'`)
- Average Relative Error (`'ARE'`)
- Absolute Error (`'EABS'`)
- Hybrid Deviation (`'HYBRID'`)
- Mean Percentage Standard Deviation (`'MPSD'`)
- Sum of Relative Errors (`'SRE'`)
- Chi-square Deviation ('`CHI_2'`)
- Residual Sum of Squares Deviation (`'R_S'`)
# Contributing
Contributions are welcome! If you have suggestions, bug reports, or feature requests, please open an issue on the [GitHub repository](https://github.com/mv-per/ClassicIsotherms).
# License
ClassicIsotherms is licensed under the MIT License. See the [LICENSE](https://github.com/mv-per/ClassicIsotherms/blob/main/LICENSE) file for more information.
Raw data
{
"_id": null,
"home_page": "https://github.com/mv-per/classic-isotherms",
"name": "classic-isotherms",
"maintainer": "",
"docs_url": null,
"requires_python": "",
"maintainer_email": "",
"keywords": "",
"author": "Marcus Pereira",
"author_email": "mav.pereira@outlook.com",
"download_url": "",
"platform": null,
"description": "# ClassicIsotherms\n\nClassicIsotherms is a Python module that provides implementations of various classic adsorption isotherm equations. It allows you to calculate the loading and deviations for different isotherm models based on pressure, temperature, and parameters.\n\n## Installation\n\nYou can install ClassicIsotherms using pip:\n\n```shell\n pip install classic-isotherms\n```\n\n## Usage\n\n```python\n import ClassicIsotherms\n\n # Create an instance of ClassicIsotherm\n isotherm = ClassicIsotherms(\"freundlich\")\n\n # Calculate loading for a given pressure, temperature, and parameters\n pressure = 1.5\n temperature = 298.15\n parameters = [2.0, 1.5]\n loading = isotherm.get_loading(pressure, temperature, parameters)\n print(\"Loading:\", loading)\n\n # Calculate loadings for multiple pressures\n pressures = [1.0, 2.0, 3.0]\n loadings = isotherm.get_loadings(pressures, temperature, parameters)\n print(\"Loadings:\", loadings)\n\n # Calculate deviation using a specific deviation function\n experimental_loadings = [0.5, 1.0, 1.5]\n deviation_equation = \"SSE\"\n deviation = isotherm.get_deviation(pressures, experimental_loadings, temperature, parameters, deviation_equation)\n print(\"Deviation:\", deviation)\n```\n\n# Supported Isotherm Models\n\nThe following classic adsorption isotherm models are currently supported:\n\n- Freundlich (`'freundlich'`)\n- Langmuir (`'langmuir'`)\n- Redlich-Peterson (`'redlich-perterson'`)\n- Sips (`'sips'`)\n- Toth (`'toth'`)\n- Unilan (`'unilan'`)\n- Keller-Staudt-Toth (`'keller-staudt-toth'`)\n\n# Supported Deviation Methods\n\nThe following deviation methods are currently supported:\n\n- Sum of Squared Errors (`'SSE'`)\n- Average Relative Error (`'ARE'`)\n- Absolute Error (`'EABS'`)\n- Hybrid Deviation (`'HYBRID'`)\n- Mean Percentage Standard Deviation (`'MPSD'`)\n- Sum of Relative Errors (`'SRE'`)\n- Chi-square Deviation ('`CHI_2'`)\n- Residual Sum of Squares Deviation (`'R_S'`)\n\n# Contributing\n\nContributions are welcome! If you have suggestions, bug reports, or feature requests, please open an issue on the [GitHub repository](https://github.com/mv-per/ClassicIsotherms).\n\n# License\n\nClassicIsotherms is licensed under the MIT License. See the [LICENSE](https://github.com/mv-per/ClassicIsotherms/blob/main/LICENSE) file for more information.\n",
"bugtrack_url": null,
"license": "",
"summary": "A package to calculate the classic and empirical isotherms",
"version": "0.0.1",
"project_urls": {
"Bug Tracker": "https://github.com/mv-per/classic-isotherms/issues",
"Homepage": "https://github.com/mv-per/classic-isotherms"
},
"split_keywords": [],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "2ecf795694819beb82602ed621b0d743588b2bc9442e62ad5e3c2d83f609d0e9",
"md5": "913968d9abff8c58cb8359e66a35281d",
"sha256": "1f3d94e14c2c1b7d11814617d642578fb081ce346f7e4cdd360af656d11239a0"
},
"downloads": -1,
"filename": "classic_isotherms-0.0.1-py3.10-linux-x86_64.egg",
"has_sig": false,
"md5_digest": "913968d9abff8c58cb8359e66a35281d",
"packagetype": "bdist_egg",
"python_version": "0.0.1",
"requires_python": null,
"size": 75054,
"upload_time": "2023-06-11T20:43:39",
"upload_time_iso_8601": "2023-06-11T20:43:39.936817Z",
"url": "https://files.pythonhosted.org/packages/2e/cf/795694819beb82602ed621b0d743588b2bc9442e62ad5e3c2d83f609d0e9/classic_isotherms-0.0.1-py3.10-linux-x86_64.egg",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2023-06-11 20:43:39",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "mv-per",
"github_project": "classic-isotherms",
"github_not_found": true,
"lcname": "classic-isotherms"
}
JSON
