The Development of Modern Methods to Calculate Reduced Isotopic Partition Function Ratios

12 The Development of Modern Methods to Calculate Reduced Isotopic Partition Function Ratios 

In earlier sections of this chapter we learned that the calculation of isotope effects on equilibrium constants of isotope exchange reactions as well as isotope effects on rate constants using transition state theory, TST, requires the evaluation of reduced isotopic partition function ratios, RPFR s, for ordinary molecular species, and for transition states. Since the procedure for transition states is basically the same as that for normal molecular species, it is the former which will be discussed first. 

4 Isotope Effects on Equilibrium Constants of Chemical Reactions 

235U(IV)aq + 238U(VI)resi = 238U(IV)aq + 235U(VI) resin (4.151) 

A1 Appendix The Connection Between the Equilibrium Constant, Its Isotope Effects, and Pressure or Concentration Ratios Corrections for Nonideality 

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