In this study, we apply a dual-control volume MD (DCVMD) method to a series of polymers to investigate whether a computational analogue of the Robeson plot arises from a series of model polymers with different structural and chemical properties. To pursue this objective, we also conduct a preliminary analysis on the reliability of permeation and permselectivity results obtained with DCVMD. As an initial step, we focus on a single polymer system, PIM-PI-8, which can be considered as a quintessential representative of the PIM family. Specifically, we begin with a general observation on the DCVMD setup, including the density distributions of gas molecules and their progression toward steady state. A sensitivity analysis is provided in the following section to assess the impact of system size, polymer matrix realization, and initial conditions on key membrane performance metrics, such as permeability and perm-selectivity. In addition, we calculate solubility and diffusivity of the gas molecules within the membrane. Some of the results obtained are compare to available experimental observations. In the second part of this article, we apply the DCVMD method to a series of model polymers, mostly PIM-based membranes. A total of 8 model membranes with ranging structural properties, e.g., densities and FFVs, are created. Using the atomistic models of these polymers, the main question we pose here is whether we are able to observe patterns in the permeability and perm-selectivity of these polymers similar to the experimental patterns, such as the emergence of a Robeson-like boundary.