classic-isotherms 0.0.1

A package to calculate the classic and empirical isotherms

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:

    pip install classic-isotherms

Usage

    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.

License

ClassicIsotherms is licensed under the MIT License. See the LICENSE file for more information.