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 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.

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.

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.

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.