chemeq 0.1.7

Balance chemical equations & calculates molecular weights plus periodic table of elements

Package capable of balance chemical equations and contains the most used portion of the periodic table of elements.
The package has two objects: chemeq and periodic_table.

1. chemeq

  CLASS, Receives a string representing a chemical equation as input.
  In the shape: "reactant_1 + ... + reactant_n = product_1 + ... + product_n".

  The chemeq CLASS has three properties and one method.

   is_balanced : Property. Boolean (True or False)
   reactants  : Property. pandas.DtataFrame where each row represents one of the reactants (left side)
         compounds, molecular weights and elements.
   products   : Property. pandas.DtataFrame where each row represents one of the product (right side)
         compounds, molecular weights and elements.
   balance()   : Method. Balances the equation if it is unbalanced.

2. periodic_table

  pandas.DataFrame containing a portion of the periodic table of elements contains: Z, name, symbol, atomic mass,
  atomic mass error, period, group & state.

  Source for the periodic table of elements:
  IUPAC - International Union of Pure and Applied Chemistry
  https://iupac.org/what-we-do/periodic-table-of-elements/

LIMITATIONS

• Does not include Rare earths, synthetic elements, Radon, Francium & Radium.
• Intermediate prefixes like those from hydrates such as Cu(SO4)•5H2O
    must be represented with subindexes like Cu(SO4)(H2O)5.

EXAMPLES

  >>> from chemeq import chemeq
  >>> eq = chemeq("C2H5(OH) + O2 = CO2 + H2O")
  >>> eq.is_balanced
  False

The balance status of the equation is also visible in the equation object itself.

  >>> eq
  <Unbalanced equation: "C2H5(OH) + O2 = CO2 + H2O">

To balance the equation invoke the balance() method

>>> eq.balance()
  >>> eq.is_balanced
  True
  >>> eq
  <Balanced equation: "C2H5(OH) + 3O2 = 2CO2 + 3H2O">

Example of its properties

  >>> str(eq)
  "C2H5(OH) + 3O2 = 2CO2 + 3H2O"
  >>> eq.reactants
     coefficient   formula  C  H  O  Mass(g/mol)
  0            1  C2H5(OH)  2  6  1       46.069
  1            3        O2  0  0  2       31.998
  >>> eq.products
     coefficient formula  C  H  O  Mass(g/mol)
  0            2     CO2  1  0  2       44.009
  1            3     H2O  0  2  1       18.015</pre>

An equation can be created with their indexes to test if it is balanced. If it is not it can be balanced later.

>>> eq = chemeq("CuS + 8HNO3 = CuSO4 + 8NO2 + 4H2O")
  >>> eq.is_balanced
  True
  >>> eq = chemeq("73CuS + 73HNO3 = 11CuSO4 + 11NO2 + 11H2O")
  >>> eq.is_balanced
  False
  >>> eq.balance()
  >>> eq
<Balanced equation: "CuS + 8HNO3 = CuSO4 + 8NO2 + 4H2O">

  >>> from chemeq import periodic_table
  >>> periodic_table
                      name symbol  atomic_weight   error  group  period state
  atomic_number
  1               Hydrogen      H         1.0080  0.0002      1       1     g
  2                 Helium     He         4.0026  0.0001     18       1     g
  3                Lithium     Li         6.9400  0.0600      1       2     s
  4              Beryllium     Be         9.0122  0.0001      2       2     s
  5                  Boron      B        10.8100  0.0200     13       2     s
  ...                  ...    ...            ...     ...    ...     ...   ...
  79                  Gold     Au       196.9700  0.0100     11       6     s
  80               Mercury     Hg       200.5900  0.0100     12       6     l
  81              Thallium     Tl       204.3800  0.0100     13       6     s
  82                  Lead     Pb       207.2000  1.1000     14       6     s
  83               Bismuth     Bi       208.9800  0.0100     15       6     s
  [67 rows x 7 columns]