Urey–Bigeleisen–Mayer equation

In stable isotope geochemistry, the Urey–Bigeleisen–Mayer equation, also known as the Bigeleisen–Mayer equation or the Urey model, is a model describing the approximate equilibrium isotope fractionation in an isotope exchange reaction. While the equation itself can be written in numerous forms, it is generally presented as a ratio of partition functions of the isotopic molecules involved in a given reaction. The Urey–Bigeleisen–Mayer equation is widely applied in the fields of quantum chemistry and geochemistry and is often modified or paired with other quantum chemical modelling methods (such as density functional theory) to improve accuracy and precision and reduce the computational cost of calculations.

The equation was first introduced by Harold Urey and, independently, by Jacob Bigeleisen and Maria Goeppert Mayer in 1947.