# Can the oxidation of hydrogen peroxide be reversed? [closed]

Hydrogen peroxide is said to be unstable, for it undergoes auto-oxidation on standing/heating:

$$\ce{2H_2O_2 -> 2H_2O + O_2}$$

where $$\Delta S=\pu{70.5 J {mol}^{-1}K^{-1}}$$ and $$\Delta H^{\Theta} = \pu{-98.2 kJ {mol}^{-1}}$$.

I speculate if the decomposition can be reversed in some way under suitable conditions, particularly at infinite pressure and near absolute zero temperature. At once this seems to be a problem of entropy reversal. But I seek a more rigorous treatment of the problem with the help of quantum theory. Consider the molecular wavefunctions $$\Psi_{1A}$$ , $$\Psi_{1B}$$ of water (2 molecules) and $$\Psi_2$$ of dioxygen respectively. By studying the interaction potentials of these three wavefunctions as a function of different thermodynamic coordinates, it can be possible to find the desired suitable conditions.

However, the problem begins here – this is not a case of just two molecules where we have a number of methods of analysing the system, I am talking about three molecules, so the calculation is not simple. Moreover, I doubt if I need to study the wavefunction of hydrogen peroxide too in some respect. Overall, I am lacking some theoretical and computational knowledge. Any help is greatly appreciated.

• You could make a start by looking up information about a related reaction such as OH+OH studied via what are called LEPS potentials. – porphyrin Dec 6 '18 at 9:36
• @porphyrin, the LEPS potentials talk about spatial coordinates of the molecules, on the other hand I am interested in thermodynamic coordinates i.e. $P$ and $T$. – Awe Kumar Jha Dec 6 '18 at 10:22