hugomvale/polykin

Polymerization kinetics python package

PolyKin

PolyKin is an open-source polymerization kinetics library for Python. It is still at an early development stage, but the following modules can already be used:

• Activity coefficient models
  • Ideal solution
  • Flory-Huggins
  • NRTL
  • Poly-NRTL
  • UNIQUAC
  • Wilson
• Copolymerization
  • Implicit penultimate model
  • Penultimate model
  • Terminal model
  • Mayo-Lewis equation (binary, ternary and multicomponent)
  • Monomer drift equation (binary and multicomponent)
  • Fitting methods
• Equations of state
  • [50%] Cubic (Redlich-Kwong, Soave, Peng-Robinson)
  • Ideal gas
  • Sanchez-Lacombe
  • Virial equation
• Database
• Distributions
  • Flory
  • Gold
  • Log-normal
  • Poison
  • Schulz-Zimm
• Kinetics
  • Arrhenius
  • Eyring
  • Propagation half-length
  • Termination composite model
• Math
  • Joint confidence regions
• Models
• Physical property correlations
  • Antoine
  • DIPPR
  • Wagner
  • Yaws
• Step-growth polymerization
  • Analytical solutions for $M_n$ and $M_w$
• Transport properties (estimation methods, mixing rules, etc.)
  • Diffusivity
    • Binary gas mixtures
    • Binary liquid mixtures
    • Binary polymer solutions
    • Multicomponent polymer solutions
  • Thermal conductivity
    • Gases
    • Liquids
    • Polymer solutions
  • Viscosity
    • Gases
    • Liquids
    • Polymer solutions

Documentation

Please refer to the package homepage.

Tutorials

The main features of PolyKin are explained and illustrated through a series of tutorials based on Jupyter notebooks, which can be launched online via Binder.

Installation

PolyKin currently runs on Python 3.9+. You can install it from PyPI via pip (or poetry):

pip install polykin
# poetry add polykin

Alternatively, you may install it directly from the source code repository:

git clone https://github.com/HugoMVale/polykin.git
cd polykin
pip install . 
# poetry install