https://github.com/andreshyer/preos

Pend-Robinson Equation of State solver
https://github.com/andreshyer/preos

Last synced: about 2 months ago
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Pend-Robinson Equation of State solver

• Host: GitHub
• URL: https://github.com/andreshyer/preos
• Owner: andreshyer
• Created: 2020-08-28T21:48:59.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2022-04-11T21:16:20.000Z (almost 3 years ago)
• Last Synced: 2024-10-14T03:51:17.673Z (3 months ago)
• Language: Python
• Size: 53.7 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
## Peng-Robinson Equation of State Solver

This script is meant to be able to solve primarly the partial vapor fugacities of

the compounds in a mixture using the PREOS and equations found in "Chemical, Biochemical,

and Engineering Thermodynamics" by Stanley I. Sandler. 

This solver can also solve the Z and molar volumes of a mixture both in vapor 

and liquid phase. 

## Solving for Z of a single component

    compounds = {'oxygen': 1.0}

    calculator = PendRob(compounds)

    calculator.calculate_Z(pressure=1, temperature=100)

    print(calculator.z_mix)

    >>> {'single state': 0.9997068078533051}

   

## Solving for Z of a mixture

    compounds = {'ethane': 0.5, 'n-butane': 0.5}

    calculator = PendRob(compounds)

    calculator.calculate_Z(pressure=1, temperature=100)

    print(calculator.z_mix)

    >>> {'single state': 0.9913218856617976}

## Solving for molar volume of a mixture

    compounds = {'ethane': 0.5, 'n-butane': 0.5}

    calculator = PendRob(compounds)

    calculator.calculate_V(pressure=2, temperature=100)

    print(calculator.V)

    >>> {'single state': 0.015241545952714833}

   

## Solving for partial vapor fugacities of compounds in mixture

    compounds = {'methane': 0.65, 'ethane': 0.20, 'propane': 0.15}

    calculator = PendRob(compounds)

    calculator.calculate_fv(pressure=2, temperature=100)

    print(calculator.fv)

    >>> {'methane': 1.2980602636892002, 'ethane': 0.3967781774811893, 'propane': 0.29602876757692975}

    

## Solving for partial vapor fugacities of compounds in mixture in range of pressures

    compounds = {'methane': 0.65, 'ethane': 0.20, 'propane': 0.15}

    calculator = PendRob(compounds)

    df = calculator.generate_table_for_fv(pressures=[2, 7, 20], temperature=100, file='output.csv')

    print(df)

    >>> Pressure (bar)  ...  Vapor Fugacity of propane (bar)

    0               2  ...                           0.2960

    1               7  ...                           1.0022

    2              20  ...                           2.6266