Despite the advancement in simulation
technology, a great challenge
for unconventional resources is relevant to the correct representation
of phase equilibria in nanopores and the effective implementation
of involved models. A novel phase equilibrium calculation framework
based on the successive substitution (SS)–Newton–Trust-Region
(TR) method, coupled with critical property shifts and capillary pressure,
is presented to calculate the phase behavior of confined fluids in
nanopores. Moreover, an empirical relationship for Lennard-Jones (12–6)
parameters is introduced into the algorithm to calculate the critical
point shifts of pseudocomponents. For two-phase equilibrium calculations
in nanopores, a new solution strategy is used to solve nonconvergence
problems. This solution strategy improves the robustness of the Gibbs
free-energy method, especially for small pores. Moreover, the present
method can calculate the negative pressure of the liquid phase. Meanwhile,
the negative root of cubic EoS corresponding to the negative pressure
is correctly calculated. The capillary pressure from stability testing
is an incorrect initial guess for two-phase split calculations. Hence,
an empirical expression is presented to correct the initial guess
of capillary pressure. A new pressure discontinuity for two-phase
flash calculation is found at the low pressures, which is attributed
to the choice of the test phase of phase stability testing.