Multivariate bisection applied to pressure-temperature equilibration

Pressure-Temperature equilibrium is a preferred form of accounting for sub-cell dynamics (or closure) of mixed cells, as it obeys Newton's second law as well as the second law of thermodynamics. In this poster, we describe the application of the multivariate bisection method used as a root-finding method to solve to problem of pressure-temperature equilibration. We describe the mathematical formulation of the multivariate bisection method in the context of the Poincare-Miranda theorem, and present some results on the performance of the method when applied to the closure of reactants and products described using a Davis equation of state.

This abstract has been designated LA-UR-24-33237