Flowing Red / Ox cells, where the energy storage and generation are separated, can be used as such systems[1, 2]. The energy is stored in separate containers in the form of chemical compounds dissolved in a liquid electrolyte [3, 4]. One of the fundamental problems that is central to the creation of such systems is the selection of materials for separation membranes. One of the possible methods that allows us to approach the solution is the molecular dynamics method. It has already been widely used to describe organic compounds, including sugars and polymer structures based on them [6, 7]. However, the application of this approach always requires a thorough preliminary verification of the selected force field for the possibility of a fairly accurate description of the system parameters of interest. Such verification is best done with relatively simple model systems for which sufficient experimental data are available, see, for example, [8].