https://github.com/clapeyronthermo/langmuir.jl

Single and Multi-component Adsorption Equilibrium.
https://github.com/clapeyronthermo/langmuir.jl

absorption iast julia langmuir thermodynamics

Last synced: 3 months ago
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Single and Multi-component Adsorption Equilibrium.

• Host: GitHub
• URL: https://github.com/clapeyronthermo/langmuir.jl
• Owner: ClapeyronThermo
• License: mit
• Created: 2024-06-01T05:47:12.000Z (12 months ago)
• Default Branch: main
• Last Pushed: 2025-02-08T12:26:28.000Z (4 months ago)
• Last Synced: 2025-03-16T10:11:43.112Z (3 months ago)
• Topics: absorption, iast, julia, langmuir, thermodynamics
• Language: Julia
• Homepage: https://clapeyronthermo.github.io/Langmuir.jl/
• Size: 9.76 MB
• Stars: 7
• Watchers: 0
• Forks: 1
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
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![logo](/docs/Langmuir_logo.svg)

This package implements single adsorption and multicomponent adsorption through Ideal Absorbed Solution Theory (IAST). Some major features are:

- Explicit single component adsorption properties: loading, bulk phase properties

- Multicomponent adsorption 

## Examples:

```julia

using Langmuir

#example from doi.org/10.1002/aic.14684

v = @MultiSite{LangmuirS1,LangmuirS1} #we create a multisite model, consisting

    x1 = [1.468

        0.024

        0

        7.891

        0.001645

        0]

    x2 = [2.847

        0.028

        0.

        2.223

        1.228

        0.]

    x3 = [2.581

        0.84

        0.0

        2.901

        0.021

        0.0]

    #creation of isotherms from vectors or other iterables.

    #you can also use Langmuir.from_vec! or Langmuir.from_vec

    #to create (or fill) vectors from isotherm models

    m1,m2,m3 = Langmuir.from_vec(v,x1),Langmuir.from_vec(v,x2),AST.from_vec(v,x3)

    models = (m1,m2,m3)

    #calculate loading of a single isotherm

    #there are also functions to calculate the reduced spreading pressure, and inverse algorithms

    l1 = loading(m1,p,T)

    kh1 = henry_coefficient(m1,T)

    lmax = saturated_loading(m1,T)

    y = [0.5,0.25,0.25]

    T = 300

    p = 1000

    

    #total adsorbed amount, fractions of adsorbed components.

    q_tot,x,status = iast(models,p,T,y) 

```