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https://github.com/wigging/chemics
A Python package for chemical engineering
https://github.com/wigging/chemics
biomass chemical-engineering chemistry density fluidization pressure python thermal-conductivity viscosity
Last synced: about 1 month ago
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A Python package for chemical engineering
- Host: GitHub
- URL: https://github.com/wigging/chemics
- Owner: wigging
- License: mit
- Created: 2018-09-27T20:26:24.000Z (almost 6 years ago)
- Default Branch: main
- Last Pushed: 2024-03-10T14:52:52.000Z (7 months ago)
- Last Synced: 2024-08-07T11:24:17.022Z (about 2 months ago)
- Topics: biomass, chemical-engineering, chemistry, density, fluidization, pressure, python, thermal-conductivity, viscosity
- Language: Python
- Homepage: https://chemics.readthedocs.io
- Size: 4.33 MB
- Stars: 168
- Watchers: 9
- Forks: 15
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
- Changelog: CHANGELOG.md
- Contributing: CONTRIBUTING.md
- Funding: .github/FUNDING.yml
- License: LICENSE.md
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README
# Chemics
Chemics is a Python package for chemistry and chemical engineering applications. It is open-source and contributions from the scientific community are encouraged.
## Installation
If you don't have Python installed on your computer, the [Anaconda](https://www.anaconda.com) or [Miniconda](https://conda.io/miniconda.html) distribution of Python is recommended for scientific computing. After setting up Python, the Chemics package can be downloaded and installed using the pip package manager.
```bash
$ pip install chemics
```
## Usage
The example below imports the Chemics package and uses the `Gas` class to calculate the density and viscosity of nitrogen gas at a temperature of 773 K and pressure of 101,325 Pa.
```python
import chemics as cm
gas = cm.Gas("N2", 773)
rho = gas.density()
mu = gas.viscosity()
print("Nitrogen gas properties at 773 K and 101,325 Pa")
print(f"density {rho:.4f} kg/m³")
print(f"viscosity {mu:.2f} μP")
```
This prints the following:
```
Nitrogen gas properties at 773 K and 101,325 Pa
density 0.4416 kg/m³
viscosity 363.82 μP
```
This example uses the `ChemicalEquation` class to get properties of the reactants and products from a given chemical equation.
```python
import chemics as cm
ce = cm.ChemicalEquation("2 HCl + 2 Na -> 2 NaCl + H2")
ce.is_balanced()
# This returns True for balanced equation
ce.rct_properties
# This returns a dataframe of the reactant properties
# HCl Na
# moles 2 2
# species HCl Na
# molwt 36.458 22.99
# mass 72.916 45.98
# molfrac 0.5 0.5
# massfrac 0.613275 0.386725
```
More examples are available in the documentation.
## Documentation
Documentation for the Chemics package is available at [chemics.readthedocs.io](https://chemics.readthedocs.io).
## Contributing
See the [CONTRIBUTING.md](CONTRIBUTING.md) document for guidelines on contributing to the Chemics package.
## License
Chemics is available under the MIT License - see the [LICENSE](LICENSE) file for more information.