Numerical Determination of Chemical Equilibrium and the Partitioning of Free Energy

A simplified procedure is developed for the numerical determination of the equilibrium composition of complex mixtures. Computational steps have been simplified and numerical difficulties arising in previous methods are eliminated. A new concept leading to the allocation of free energy to the atoms or elementary particles comprising a molecule or other composite structure is suggested. Numerical values are derived for the free energy of hydrogen and oxygen atoms in a water molecule.