Isotope effects on partition functions and thermodynamic quantities of the stable diatomic hydrides

Abstract

The logarithms of partition functions of diatomic hydrides have been calculated by a direct summation method at various temperatures in the range 200 to 800 K. The least squares method has been used to fit a curve to the calculated values. Thermodynamic quantities are readily evaluated from the coefficients for the equations of the curves. These coefficients are listed for several isotopic species. The temperature dependence of equilibrium constants and related changes in thermodynamic quantities, as well as the effects of substituting different isotopes in similar exchange equilibria, have been determined and compared with earlier results.