Fractionation of polycyclic aromatic hydrocarbons at geochemical barriers

The purpose of the study was to identify patterns of fractionation at geochemical barriers (GCB) of associations of marker compounds — polycyclic aromatic hydrocarbons (PAH). Based on thermodynamic parameters, the throughput of GCB in geochemical systems (GCS) in relation to organic substances at the molecular level is analyzed. PAHs are very informative indicators of the properties of GCB (up to singular surfaces). The processes of migration and selective penetration through GCB were examined for 15 PAHs from the list of priority pollutants recommended by the US Environmental Protection Agency (widely used in the world EPA list): Naphthalene (Naph), acenaphthene (Ace), Fluorene (Flourene), Phenanthrene (Phen), Anthracene (An), Fluoranthene (Flu), Pyrene (Py), Benzo(a)Anthracene (BaA), Chrysene (Chr), Benzo(b)Fluoranthene (BbFlu), Benzo(k)fluoranthhene (BkFlu), Benzo(a) pyrene (BaP), benzo(ghi)perylene (Bghi), Dibenzo(a, h) anthracene (DbA), Indeno(1,2-cd) pyrene (Ip). Being geochemical markers, these compounds can accumulate on barriers and selectively penetrate through them, making them especially important objects of study. Despite numerous studies, these mechanisms of mass transfer have not been sufficiently studied. The types of GCB have been identified in terms of their permeability to PAHs. It is shown that the functions of GCB in systems are much more significant and consist not only of the separation of systems from the external environment and the regulation of mass transfer. The above models of migration and accumulation are based on quantitative estimates, which makes the results more reasonable in comparison with the “conceptual” representations of the behavior of substances on GCB in most studies. Most importantly, the influence of the media contact time for establishing a stable state (stability of the migration of compounds) on GCB has been demonstrated.This work was financially supported by the Ministry of Education and Science of the Russian Federation under the Program for increasing the competitiveness of RUDN University “5-100” among the world’s leading research and educational centers for 2016–2020