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 examples directory and 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.