@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix vcard: <http://www.w3.org/2006/vcard/ns#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

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    dct:description """
              Metal Organic Frameworks exhibit new and fascinating adsorption properties and flexibility. The coupling between those two aspect plays an important role to explain their behavior under adsorption of a fluid. This thesis aims at providing methods that are adapted to the study of these physical systems. In a first part, I present a method based on the calculation of a generalized density of states in the osmotic ensemble. This method enables us to efficiently obtain all thermodynamical quantities, and most specifically adsorption isotherms, adsorption-induced structural deformations, as well as the hysteresis observed during an adsorption-desorption cycle. In the second part, a analytical thermodynamical model has been developed to understand the behavior of flexible nanoporous materials under adsorption. This approach enables us in particular to derive a large number of informations from experimental datas.
            """ ;
    dct:identifier "tel-00924733" ;
    dct:issued "2026-05-07T15:11:19.481817"^^xsd:dateTime ;
    dct:language "fr" ;
    dct:modified "2026-05-07T15:11:19.481821"^^xsd:dateTime ;
    dct:publisher <https://rec.harvest-normandie.data4citizen.com/organization/cce9db95-46d9-4dc2-84b6-764215d0a002> ;
    dct:title "Modélisation de l'adsorption dans les matériaux nanoporeux flexibles" ;
    dcat:contactPoint [ a vcard:Organization ;
            vcard:fn "CCSD" ] ;
    dcat:distribution <https://rec.harvest-normandie.data4citizen.com/dataset/oai-hal-tel-00924733v1/resource/fbbbd84c-67d3-461d-86e8-4134e83a75b6> ;
    dcat:keyword "adsorption",
        "chimtheochemical-sciencestheoretical-andor-physical-chemistry",
        "infoeu-reposemanticsdoctoralthesis",
        "materiaux-nanoporeux",
        "materiaux-nanoporeux-flexibles",
        "metal-organic-frameworks",
        "molecular-simulation",
        "nanoporous-materials",
        "simulation-moleculaire",
        "soft-porous-crystals",
        "thermodynamics",
        "thermodynamique",
        "theses" ;
    dcat:landingPage <https://theses.hal.science/tel-00924733> .

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    dct:format "HTML" ;
    dct:issued "2026-05-07T15:11:19.495101"^^xsd:dateTime ;
    dct:modified "2026-05-07T15:11:19.460976"^^xsd:dateTime ;
    dct:title "Modélisation de l'adsorption dans les matériaux nanoporeux flexibles" ;
    dcat:accessURL <https://theses.hal.science/tel-00924733> .

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