{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Saric D"],"funding":["Bundesministerium für Bildung und Forschung","Deutsche Forschungsgemeinschaft","Ikerbasque, Basque Foundation for Science","Konrad-Adenauer-Stiftung","Technische Universität Berlin"],"pagination":["16107"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10522683"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["13(1)"],"pubmed_abstract":["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 t"],"journal":["Scientific reports"],"pubmed_title":["Diffusion of hydrocarbons diluted in supercritical carbon dioxide."],"pmcid":["PMC10522683"],"funding_grant_id":["PRE-2019-1-0202","16ME0613","PRE-2019–1–0202","VR 6/11"],"pubmed_authors":["Saric D","Gaponenko Y","Vrabec J","Shevtsova V","Guevara-Carrion G"],"additional_accession":[]},"is_claimable":false,"name":"Diffusion of hydrocarbons diluted in supercritical carbon dioxide.","description":"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 t","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Sep","modification":"2026-07-14T22:33:24.915Z","creation":"2025-04-04T11:35:54.801Z"},"accession":"S-EPMC10522683","cross_references":{"pubmed":["37752219"],"doi":["10.1038/s41598-023-42892-7"]}}