A Python library for polymerization kinetics and related chemical engineering calculations.
Project description
PolyKin
PolyKin is an open-source Python library for polymerization kinetics and related chemical engineering calculations. 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
- Scatchard-Hildebrand
- 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
- Log-normal
- Poison
- Schulz-Zimm
- Weibull-Nycander-Gold
- Flash solvers
- 2-Phase PT, PV, TV
- 3-Phase PT
- Fluid Flow
- Pressure drop and drag equations
- Rheology
- Safety valve sizing
- Heat & Mass Transfer
- Convection correlations
- Heat exchanger equations
- Transient diffusion equations
- Kinetics
- Arrhenius
- Eyring
- Propagation half-length
- Termination composite model
- Math
- Joint confidence regions
- Fixed-point solvers
- Root solvers
- Optimization solvers
- Physical property correlations
- Antoine
- DIPPR
- Wagner
- Yaws
- Reactors
- Residence time distributions
- 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
- Diffusivity
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>=3.10. You can install it from PyPI via pip (or uv):
pip install polykin
# uv add polykin
Alternatively, you may install it directly from the source code repository:
pip install git+https://github.com/HugoMVale/polykin.git
# uv add git+https://github.com/HugoMVale/polykin.git
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