Nanofiber bundles with specific areas bring a new opportunity for selective adsorption and oil/water or air separation. In this work, nanofiber bundles were prepared by the electrospinning of immiscible polystyrene (PS)/N-trifluoroacetylated polyamide 6 (PA6-TFAA) blends via the introduction of carbon nanotubes (CNTs) or a copolymer of styrene and 3-isopropenyl-α, α’-dimethylbenzene isocyanate (TMI), which was denoted as PS-co-TMI. Herein, CNT was used to increase the conductivity of the precursor for enhancing the stretch of PS droplets under the same electric field, and PS-co-TMI was used as a reactive compatibilizer to improve the compatibility of a PS/PA6-TFAA blend system for promoting the deformation. Those obtained nanofiber bundle membranes showed an increase in tensile strength and high hydrophobicity with a water contact angle of about 145.0 ± 0.5°. Owing to the special structure, the membranes also possessed a high oil adsorption capacity of 31.0 to 61.3 g/g for different oils. Moreover, it exhibits a high potential for gravity-driven oil/water separation. For example, those membranes had above 99% separation efficiency for silicon oil/water and paraffin wax/water. Furthermore, the air filtration efficiency of nanofiber bundle membranes could reach above 96%, which might be two to six times higher than the filtration efficiency of neat PS membranes.
Tassieri et al. have introduced a novel rheological tool called “i-Rheo GT” that allows the evaluation of the frequency-dependent materials’ linear viscoelastic properties from a direct Fourier transform of the time-dependent relaxation modulus G(t), without artifacts. They adopted i-Rheo GT to exploit the information embedded in G(t) derived from molecular dynamics simulations of atomistic and quasi-atomistic models, and they estimated the polymers’ entanglement characteristic time () from the crossover point of the moduli at intermediate times, which had never been possible before because of the poor fitting performance, at short time scales, of the commonly used generalized Maxwell models. Here, we highlight that the values of reported by Tassieri et al. are significantly different (i.e., an order of magnitude smaller) from those reported in the literature, obtained from either experiments or molecular dynamics simulations of different observables. In this work, we demonstrate that consistent values of can be achieved if the initial values of G(t), i.e., those governed by the bond-oscillation dynamics, are discarded. These findings have been corroborated by adopting i-Rheo GT to Fourier transform the outcomes of three different molecular dynamics simulations based on the following three models: a dissipative particle dynamics model, a Kremer–Grest model, and an atomistic polyethylene model. Moreover, we have investigated the variations of as function of (i) the ‘cadence’ at which G(t) is evaluated, (ii) the spring constant of the atomic bone, and (iii) the initial value of the shear relaxation modulus G(O). The ensemble of these results confirms the effectiveness of i-Rheo GT and provide new insights into the interpretation of molecular dynamics simulations for a better understanding of polymer dynamics.