{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["14(53)"],"submitter":["Wang R"],"pubmed_abstract":["Hildebrand (<i>δ</i> <sub>T</sub>) and Hansen (<i>δ</i> <sub>D</sub>, <i>δ</i> <sub>P</sub>, <i>δ</i> <sub>H</sub>) solubility parameters are important indexes to predict the compatibility of components intuitively. Currently, almost all the experiments only measured the solubility parameters of the pristine graphene. Therefore, there is a lack of quantitative relationship between the surface chemistry of graphene and solubility parameters, resulting in no theoretical guidance for the surface modification of graphene. In this work, three-dimensional Hansen solubility parameters are converted to two-dimensional solubility parameters. Hildebrand and two-dimensional solubility parameters of six functionalized graphene as a function of grafting ratio are calculated by molecular dynamics (MD) s"],"journal":["RSC advances"],"pagination":["39081-39093"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11629941"],"repository":["biostudies-literature"],"pubmed_title":["Quantitative relationship between surface chemistry of graphene and compatibility with rubbers established by two-dimensional solubility parameters."],"pmcid":["PMC11629941"],"pubmed_authors":["Wang R","Ren Z","Yi M","Yang R","Luo Y","Zhang B","Lu Q"],"additional_accession":[]},"is_claimable":false,"name":"Quantitative relationship between surface chemistry of graphene and compatibility with rubbers established by two-dimensional solubility parameters.","description":"Hildebrand (<i>δ</i> <sub>T</sub>) and Hansen (<i>δ</i> <sub>D</sub>, <i>δ</i> <sub>P</sub>, <i>δ</i> <sub>H</sub>) solubility parameters are important indexes to predict the compatibility of components intuitively. Currently, almost all the experiments only measured the solubility parameters of the pristine graphene. Therefore, there is a lack of quantitative relationship between the surface chemistry of graphene and solubility parameters, resulting in no theoretical guidance for the surface modification of graphene. In this work, three-dimensional Hansen solubility parameters are converted to two-dimensional solubility parameters. Hildebrand and two-dimensional solubility parameters of six functionalized graphene as a function of grafting ratio are calculated by molecular dynamics (MD) s","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Dec","modification":"2025-04-04T02:33:29.533Z","creation":"2025-04-04T02:33:29.533Z"},"accession":"S-EPMC11629941","cross_references":{"pubmed":["39664245"],"doi":["10.1039/d4ra08062a"]}}