pyChemEng is a Python package for understanding and representing multiple adsorption and kinetic models in the chemical thermodynamics spectrum. This project is an initiative considering research scientists for the unequivocal representation of the models with all the useful information.
Users are encouraged to update the required dependencies with the latest version.
pyChemEng requires:
Python
NumPy
SciPy
Matplotlib
MathIf you already have a working installation of required dependencies, the easiest way to install pyChemEng is using PIP:
pip install chempy-adSoon to be updated
See the changelog for a history of notable changes to pyChemEng.
The variables x and y are established initially as a list. Later, the function isotherm is called with all the parameters set to True for the graphs that could be produced with the function. The same procedure adheres to the kinetics function.
The following is a precedent for implementing the package for adsorption isotherms models. All the available outputs are called for the current example.
plot --> Varying adsorption (i.e., y) with concentration in the solution at equilibrium (i.e., x)
comp --> Predicted values vs experimetal values
res --> Residuals
std_res --> Standardised residuals
from adsorption import *
x = [0.36, 1.26, 2.69, 3.95, 5.93, 8.98, 16.89, 26.23]
y = [3.76, 6.15, 12.35, 14.49, 17.39, 21.96, 22.93, 23.17]
isotherm(x,y,ad_model=langmuir,plot=True,comp=True,res=True,std_res=True)
Currently available adsorption isotherm models in this package are:
langmuir
freundlich
toth
sips
temkin
dubinin
The following is a precedent for implementing the package for adsorption kinetic models. All the available outputs are called for the current example.
plot --> Varying adsorption (i.e., y) with time (i.e., x)
comp --> Predicted values vs experimetal values
res --> Residuals
std_res --> Standardised residuals
from kinetics import *
x = [61.60,118.84,178.81,237.37,299.17,414.08,540.83]
y = [7.77,10.02,11.45,13.09,13.91,14.32,14.32]
kinetics(x,y,Kn_model=pfo,plot=True,comp=True,res=True,std_res=True)
Currently available adsorption kinetic models in this package are:
pfo
pso
elovich
sips
temkin
dubinin
pfo --> Pseudo First Order
pso --> Pseudo Second Order