Currently there is no way to create a PhaseEquilibrium object without calling any of the solvers. Some solvers (e.g., the tp flash), however, use a PhaseEquilibrium as initialization. Therefore the new_npt function can be used to create custom initial guesses. Currently the docstring informs the users that the result is not a phase equilibrium, but I would not be surprised if someone uses the function with the assumption that it is a (much faster and better converging) tp flash.
Currently there is no way to create a
PhaseEquilibriumobject without calling any of the solvers. Some solvers (e.g., the tp flash), however, use aPhaseEquilibriumas initialization. Therefore thenew_nptfunction can be used to create custom initial guesses. Currently the docstring informs the users that the result is not a phase equilibrium, but I would not be surprised if someone uses the function with the assumption that it is a (much faster and better converging) tp flash.