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
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)