Chemical equation
Use the ChemicalEquation class to determine properties of the reactants and products in a given chemical equation.
- class chemics.ChemicalEquation(eq, names=None)[source]
Properties of the reactants and products in a given chemical equation.
- Parameters:
eq (str) – Chemical equation such as A + B -> C + D
names (dict, optional) – Names of unique species and their corresponding chemical formula.
- Variables:
eq (str) – Chemical equation such as A + B -> C + D
names (dict, optional) – Names of unique species and their corresponding chemical formula.
rct_properties (dataframe) – Number of moles, chemical species, molecular weight, mass, mole fraction, and mass fraction for each reactant.
rct_elements (dict) – Total number of atomic elements on reactant side of the equation.
rct_moles (float) – Total number of moles on reactant side of the equation.
rct_mass (float) – Total mass of the reactants.
prod_properties (dataframe) – Number of moles, chemical species, molecular weight, mass, mole fraction, and mass fraction for each product.
prod_elements (dict) – Total number of atomic elements on product side of the equation.
prod_moles (float) – Total number of moles on product side of the equation.
prod_mass (float) – Total mass of the products.
Examples
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.is_balanced() True
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.rct_properties HCl Na moles 2.0 2.0 species HCl Na molwt 36.458 22.99 mass 72.916 45.98 molfrac 0.5 0.5 massfrac 0.613275 0.386725
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.rct_properties.loc['massfrac'] HCl 0.613275 Na 0.386725 ...
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.rct_elements {'H': 2.0, 'Cl': 2.0, 'Na': 2.0}
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.rct_moles 4.0...
>>> ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2') >>> ce.rct_mass 118.896...