Langmuir.jl

KO | EN

gitlite — search

#javascript #python #hacktoberfest #react #ai #typescript #llm #go #golang #android #machine-learning #rust #deep-learning #linux

★ 9 Open GitHub ↗

Single and Multi-component Adsorption Equilibrium.

// repository documentation

Was this content helpful?

★ 0 (0 ratings)

[![Build Status](https://github.com/ClapeyronThermo/Langmuir.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/ClapeyronThermo/Langmuir.jl/actions/workflows/CI.yml?query=branch%3Amain) [![codecov](https://codecov.io/gh/ClapeyronThermo/Langmuir.jl/branch/main/graph/badge.svg?token=ZVGGR4AAFB)](https://codecov.io/gh/ClapeyronThermo/Langmuir.jl) [![Dev](https://img.shields.io/badge/docs-dev-blue.svg)](https://clapeyronthermo.github.io/Langmuir.jl/dev)

![logo](https://raw.githubusercontent.com/ClapeyronThermo/Langmuir.jl/main/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) 
```

## Citation

If you use Langmuir.jl in your research, please cite the following paper:

> Santana, V., Riedemann, A., Walker, P. J., & Nogueira, I. (2025). Langmuir.jl: An efficient and composable Julia package for adsorption thermodynamics. *Systems and Control Transactions*, *4*, 1505–1511. https://doi.org/10.69997/sct.144752

Or in BibTeX format:

```bibtex
@inproceedings{santana2025langmuirjl,
  title     = {{Langmuir.jl}: An Efficient and Composable {Julia} Package for Adsorption Thermodynamics},
  author    = {Santana, Vinicius and Riedemann, Andr\'{e}s and Walker, Pierre J. and Nogueira, Idelfonso},
  booktitle = {Proceedings of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE-35)},
  editor    = {Van Impe, Jan F.M. and L\'{e}onard, Gr\'{e}goire and Bhonsale, Satyajeet S. and Pola\'{n}ska, Monika E. and Logist, Filip},
  journal   = {Systems and Control Transactions},
  volume    = {4},
  pages     = {1505--1511},
  year      = {2025},
  address   = {Ghent, Belgium},
  doi       = {10.69997/sct.144752},
  note      = {LAPSE:2025.0394}
}
```

Langmuir.jl

Explore Similar Repositories

Was this content helpful?

Recent Feedback

Download README