biostudies-literatureSaric DBundesministerium für Bildung und ForschungDeutsche ForschungsgemeinschaftIkerbasque, Basque Foundation for ScienceKonrad-Adenauer-StiftungTechnische Universität Berlin16107https://www.ebi.ac.uk/biostudies/studies/S-EPMC10522683biostudies-literatureUnknown13(1)Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or naphthalene) diluted in supercritical carbon dioxide ([Formula: see text]) is studied by molecular dynamics simulation near the Widom line, i.e., in the temperature range from 290 to 345 K along the isobar 9 MPa. The [Formula: see text] + aromatics mixtures are additionally sampled at 10 and 12 MPa and an experimental database with Fick diffusion coefficient data for those systems is provided. Taylor dispersion experiments of [Formula: see text] with benzene, toluene, n-dodecane and 1,2,3,4-tetrahydronaphthalene are conducted along the [Formula: see text] 10 MPa isobar. Maxwell-Stefan and Fick diffusion coefficients are analyzed, together with the thermodynamic factor that relates them. It is found that tScientific reportsDiffusion of hydrocarbons diluted in supercritical carbon dioxide.PMC10522683PRE-2019-1-020216ME0613PRE-2019–1–0202VR 6/11Saric DGaponenko YVrabec JShevtsova VGuevara-Carrion GfalseDiffusion of hydrocarbons diluted in supercritical carbon dioxide.Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or naphthalene) diluted in supercritical carbon dioxide ([Formula: see text]) is studied by molecular dynamics simulation near the Widom line, i.e., in the temperature range from 290 to 345 K along the isobar 9 MPa. The [Formula: see text] + aromatics mixtures are additionally sampled at 10 and 12 MPa and an experimental database with Fick diffusion coefficient data for those systems is provided. Taylor dispersion experiments of [Formula: see text] with benzene, toluene, n-dodecane and 1,2,3,4-tetrahydronaphthalene are conducted along the [Formula: see text] 10 MPa isobar. Maxwell-Stefan and Fick diffusion coefficients are analyzed, together with the thermodynamic factor that relates them. It is found that t2023-01-01T00:00:00Z2023 Sep2026-07-14T22:33:24.915Z2025-04-04T11:35:54.801ZS-EPMC105226833775221910.1038/s41598-023-42892-7