BMI produces the best overall compatibility with the flCNTs with the epoxy showing a similar trend but with a slight under-performance. Including the previously reported systems, PEEK still shows the best interaction with the flCNTs with the polyimide and BMI also showing higher interaction than bare flCNTs . However, benzoxazine exhibits a much superior friction force than the other two systems in this study and the two fluorinated systems from Patil et al. and Pisani et al. . With a best performance in two out of the three metrics, including the three sub-metrics from transverse tension, the BMI appears to be the polymer matrix of choice when considering the flCNT stacks. However, in the design of such nanocomposites, careful consideration may be required in balancing the three described metrics as per the application. Therefore, the molecular insights gained from this research can be helpful in guiding the selection of resin systems for the engineering of new flCNT-based composites. The results of this study are not generally applicable to traditional carbon fiber/polymer composites, as carbon fiber generally has a significant sizing layer on the fiber surface, and carbon fibers generally don't have the pristine aromatic surface that was studied herein for flCNTs.