Abstract
The Rachford–Rice equation defines the inner loop of the 2-phase vapor–liquid equilibrium flash calculation. It is an objective function which determines the molar vapor or liquid phase split (V or L) and phase compositions (yi, xi) for an overall mixture composition (zi) with constant equilibrium K-values (Ki). The Rachford–Rice equation can suffer from severe round-off error due to catastrophic cancellation. This paper identifies where round-off errors can occur, how to identify it, and how to avoid the round-off error. Furthermore, this paper identifies two methods for mitigating catastrophic cancellation of the second kind by coordinate transforming the Rachford–Rice equation. These two methods are compared with regards to round-off error relative to a naive solution.
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