@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/https://doi.org/10.18419/DARUS-5114> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "Results from hydrodynamic density functional theory and non-equilibrium molecular dynamics simulations (created with LAMMPS) for the mass transfer through vapor-liquid interfaces. Provided as Python pickle files (.p), which store Python dicts of the density and flux profiles for two temperatures and two mixtures. In addition, a jupyter notebook (.ipynb) for the creation of plots is provided." ;
    dct:identifier "https://doi.org/https://doi.org/10.18419/DARUS-5114" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/9a7d2a53-21f6-412a-afb9-a15122df0640> ;
    dct:subject <https://doi.org/https://doi.org/10.18419/DARUS-5114#sample> ;
    dct:title "Additional Data: Mass Transfer Through Vapor-Liquid Interfaces From Hydrodynamic Density Functional Theory" ;
    prov:wasGeneratedBy <https://doi.org/https://doi.org/10.18419/DARUS-5114#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://doi.org/https://doi.org/10.18419/DARUS-5114#measurement> a obi:0000070,
        prov:Activity ;
    prov:used <https://doi.org/https://doi.org/10.18419/DARUS-5114#sample> .

<https://doi.org/https://doi.org/10.18419/DARUS-5114#sample_compound> a chebi:23367 .

<https://search.nfdi4chem.de/organization/9a7d2a53-21f6-412a-afb9-a15122df0640> a foaf:Organization ;
    foaf:name "DaRUS" .

<https://doi.org/https://doi.org/10.18419/DARUS-5114#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/https://doi.org/10.18419/DARUS-5114#sample_compound> ;
    dct:title "evaluated sample" .