# PolyKin
[](https://github.com/HugoMVale/polykin/actions)
[](https://codecov.io/gh/HugoMVale/polykin)
[](https://img.shields.io/github/last-commit/HugoMVale/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
- [x] Ideal solution
- [x] Flory-Huggins
- [x] NRTL
- [ ] Poly-NRTL
- [x] UNIQUAC
- [x] Wilson
- Copolymerization
- [x] Implicit penultimate model
- [x] Penultimate model
- [x] Terminal model
- [x] Mayo-Lewis equation (binary, ternary and multicomponent)
- [x] Monomer drift equation (binary and multicomponent)
- [x] Fitting methods
- Equations of state
- [50%] Cubic (Redlich-Kwong, Soave, Peng-Robinson)
- [x] Ideal gas
- [ ] Sanchez-Lacombe
- [x] Virial equation
- [ ] Database
- Distributions
- [x] Flory
- [x] Log-normal
- [x] Poison
- [x] Schulz-Zimm
- [x] Weibull-Nycander-Gold
- Kinetics
- [x] Arrhenius
- [x] Eyring
- [x] Propagation half-length
- [x] Termination composite model
- Math
- [x] Joint confidence regions
- [ ] Models
- Physical property correlations
- [x] Antoine
- [x] DIPPR
- [x] Wagner
- [x] Yaws
- Step-growth polymerization
- [x] Analytical solutions for $M_n$ and $M_w$
- Transport properties (estimation methods, mixing rules, etc.)
- Diffusivity
- [x] Binary gas mixtures
- [x] Binary liquid mixtures
- [x] Binary polymer solutions
- [ ] Multicomponent polymer solutions
- Thermal conductivity
- [x] Gases
- [x] Liquids
- [ ] Polymer solutions
- Viscosity
- [x] Gases
- [x] Liquids
- [ ] Polymer solutions
## Documentation
Please refer to the package [homepage](https://hugomvale.github.io/polykin/).
## Tutorials
The main features of PolyKin are explained and illustrated through a series of [tutorials](https://hugomvale.github.io/polykin/tutorials/) based on Jupyter [notebooks](https://github.com/HugoMVale/polykin/tree/main/docs/tutorials),
which can be launched online via Binder.
<p align="center">
<a href="https://github.com/HugoMVale/polykin">
<img src="https://raw.githubusercontent.com/HugoMVale/polykin/8e54e0b492b4dd782c2fe92b52f617dda71a29b3/docs/deconvolution.svg" width=600 alt="MWD of a polymer blend">
</a>
</p>
## Installation
PolyKin currently runs on Python 3.9+. You can install it from PyPI via `pip` (or `poetry`):
```console
pip install polykin
# poetry add polykin
```
Alternatively, you may install it directly from the source code repository:
```console
git clone https://github.com/HugoMVale/polykin.git
cd polykin
pip install .
# poetry install
```
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"description": "# PolyKin\n\n[](https://github.com/HugoMVale/polykin/actions)\n[](https://codecov.io/gh/HugoMVale/polykin)\n[](https://img.shields.io/github/last-commit/HugoMVale/polykin)\n\nPolyKin is an open-source polymerization kinetics library for Python. It is still at an early\ndevelopment stage, but the following modules can already be used:\n\n- Activity coefficient models\n - [x] Ideal solution\n - [x] Flory-Huggins\n - [x] NRTL\n - [ ] Poly-NRTL\n - [x] UNIQUAC\n - [x] Wilson\n- Copolymerization\n - [x] Implicit penultimate model\n - [x] Penultimate model\n - [x] Terminal model\n - [x] Mayo-Lewis equation (binary, ternary and multicomponent)\n - [x] Monomer drift equation (binary and multicomponent)\n - [x] Fitting methods\n- Equations of state\n - [50%] Cubic (Redlich-Kwong, Soave, Peng-Robinson)\n - [x] Ideal gas\n - [ ] Sanchez-Lacombe\n - [x] Virial equation\n- [ ] Database\n- Distributions\n - [x] Flory\n - [x] Log-normal\n - [x] Poison\n - [x] Schulz-Zimm\n - [x] Weibull-Nycander-Gold\n- Kinetics\n - [x] Arrhenius\n - [x] Eyring\n - [x] Propagation half-length\n - [x] Termination composite model\n- Math\n - [x] Joint confidence regions\n- [ ] Models\n- Physical property correlations\n - [x] Antoine\n - [x] DIPPR\n - [x] Wagner\n - [x] Yaws\n- Step-growth polymerization\n - [x] Analytical solutions for $M_n$ and $M_w$\n- Transport properties (estimation methods, mixing rules, etc.)\n - Diffusivity\n - [x] Binary gas mixtures\n - [x] Binary liquid mixtures\n - [x] Binary polymer solutions\n - [ ] Multicomponent polymer solutions \n - Thermal conductivity\n - [x] Gases\n - [x] Liquids\n - [ ] Polymer solutions\n - Viscosity\n - [x] Gases\n - [x] Liquids\n - [ ] Polymer solutions\n\n## Documentation\n\nPlease refer to the package [homepage](https://hugomvale.github.io/polykin/).\n\n## Tutorials\n\nThe main features of PolyKin are explained and illustrated through a series of [tutorials](https://hugomvale.github.io/polykin/tutorials/) based on Jupyter [notebooks](https://github.com/HugoMVale/polykin/tree/main/docs/tutorials),\nwhich can be launched online via Binder.\n\n<p align=\"center\">\n <a href=\"https://github.com/HugoMVale/polykin\">\n <img src=\"https://raw.githubusercontent.com/HugoMVale/polykin/8e54e0b492b4dd782c2fe92b52f617dda71a29b3/docs/deconvolution.svg\" width=600 alt=\"MWD of a polymer blend\">\n </a>\n</p>\n\n## Installation\n\nPolyKin currently runs on Python 3.9+. You can install it from PyPI via `pip` (or `poetry`):\n\n```console\npip install polykin\n# poetry add polykin\n```\n\nAlternatively, you may install it directly from the source code repository:\n\n```console\ngit clone https://github.com/HugoMVale/polykin.git\ncd polykin\npip install . \n# poetry install\n```\n",
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