The Chemics package is a collection of Python functions for performing calculations in the field of chemical and fluidization engineering. Source code for the package is available on GitHub and contributions from the community are encouraged.
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 or conda package managers.
Install Chemics using the pip package manager:
$ pip install chemics
Install Chemics using the conda package manager:
$ conda config --add channels conda-forge $ conda install chemics
The example below imports the Chemics package then uses the
function to calculate the density of a gas based on its molecular weight,
pressure, and temperature.
import chemics as cm cm.rhog(28, 170100, 773)
ut() function calculates the terminal velocity of a particle
according to the Haider and Levenspiel 1989 paper as shown below.
import chemics as cm # Parameters dp = 0.00016 # particle diameter [m] mu = 1.8e-5 # gas viscosity [kg/(m s)] phi = 0.67 # particle sphericity [-] rhog = 1.2 # gas density [kg/m^3] rhos = 2600 # particle density [kg/m^3] # Haider and Levenspiel terminal velocity [m/s] ut_haider = cm.ut_haider(dp, mu, phi, rhog, rhos)
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 chemics-examples repository.
Details about the functions available in the Chemics package are provided below. Equations and associated references used to develop the functions are also given.
- Atomic elements
- Bed expansion factor
- Biomass composition
- Bubble rise velocity
- Chemical equation
- Choking velocity
- Devolatilization time
- Dimensionless numbers
- Gas density
- Gas thermal conductivity
- Gas viscosity
- Geldart particle classification
- Minimum fluidization velocity
- Molecular weight
- Proximate analysis bases
- Terminal velocity
- Transport disengaging height
- Transport velocity
- Ultimate analysis bases
- Wood heat capacity
- Wood thermal conductivity
See the CONTRIBUTING document on GitHub for guidelines on contributing to the Chemics package.