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 or Miniconda 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.
$ pip install chemics
Usage
The example below imports the Chemics package and creates a Gas class to calculate the density of nitrogen gas at a pressure of 101,325 Pa and 773 K.
import chemics as cm
gas = cm.Gas('N2')
rho = gas.density(101325, 773)
print(rho)
# This prints a value of 0.4416
This example uses the ChemicalEquation class to get properties of the reactants and products from a given chemical equation.
import chemics as cm
ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2')
ce.balance
# Returns True for balanced equation
ce.rct_properties
# 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.
Contributing
See the CONTRIBUTING.md document for guidelines on contributing to the Chemics package.
License
Chemics is available under the MIT License - see the LICENSE file for more information.
1 maintainer
Metadata
1 maintainer
Release files for chemics 23.11
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| chemics-23.11.tar.gz | 1.7 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| chemics-23.11-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 3.3 MB
Release files / chemics-23.11.tar.gz
| Download URL | chemics-23.11.tar.gz |
|---|---|
| Size | 1.7 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/4.0.2 CPython/3.10.13
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Release files / chemics-23.11-py2.py3-none-any.whl
| Download URL | chemics-23.11-py2.py3-none-any.whl |
|---|---|
| Size | 1.7 MB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/4.0.2 CPython/3.10.13
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