New two‐phase and three‐phase Rachford‐Rice algorithms based on free‐water assumption

Based on the free‐water assumption that the water‐rich liquid phase contains only pure water, we develop two simple free‐water Rachford‐Rice methods: 1) a two‐phase free‐water Rachford‐Rice method where the phase fractions can be analytically solved; and 2) a three‐phase free‐water Rachford‐Rice method where there is only one unknown in the objective function (i.e. the vapour‐phase fraction) that is used for solving the phase fractions. Combining these two Rachford‐Rice methods, a new free‐water flash algorithm is developed to perform multiphase flash calculations where single‐phase equilibria, two‐phase equilibria, and three‐phase vapour‐liquid‐aqueous equilibria can be considered. In this free‐water flash algorithm, we first test if the mixture is stable; if the mixture is found to be unstable, we directly initiate the three‐phase free‐water flash. A set of criteria is developed for one to properly switch from a three‐phase free‐water flash to either a two‐phase free‐water flash or a conventional two‐phase flash, depending on whether a water‐rich phase is present in the two‐phase equilibrium. We also develop efficient and robust methods for initializing the equilibrium ratios for the two‐phase flashes. The negative flash is allowed in the flash calculation algorithms. A number of example calculations are carried out to demonstrate the robustness of the newly developed algorithm. A good agreement can be achieved between the flash results obtained by the new flash algorithm and those obtained by the conventional full three‐phase flash algorithm.