Calculation of Equilibrium Constants and Activation Energies for Some Reactions Involving Various Isotopic Species of Hydrogen, Water, and Hydrogen Sulfide
In part I, by means of statistical‐mechanical theory, equilibrium constants are calculated for exchange reactions of the various isotopic forms of hydrogen, water and hydrogen sulfide. The calculations are made over a range of temperature and show the temperature dependence of the reactions. Part II concerns itself with the calculation of activation energies for these various reactions. The computations show that the reactions fall into three main classes. Hydrogen or deuterium, and water or hydrogen sulfide, can be expected to react by a chain mechanism at about 500°C. Water and hydrogen sulfide can be expected to react by either a chain or bimolecular mechanism around 400°C, and the isotopic forms of water or hydrogen sulfide with themselves at 200 to 300°C by a bimolecular mechanism.