{ "dc.contributor.author": "Mansouri, AmirMohammad" , "dc.contributor.author": "Ghasemi Hamedani, Nona" , "dc.contributor.author": "Zou, Chen" , "dc.contributor.author": "Mousavi, Saber" , "dc.contributor.author": "Ali Khonakdar, Hossein" , "dc.contributor.author": "Bahri-Laleh, Naeimeh" , "dc.contributor.author": "Rodríguez Pizarro, Montserrat" , "dc.contributor.author": "Brotons Rufes, Artur" , "dc.contributor.author": "Posada-Pérez, Sergio" , "dc.contributor.author": "Poater Teixidor, Albert" , "dc.date.accessioned": "2024-07-23T07:31:41Z" , "dc.date.available": "2024-07-23T07:31:41Z" , "dc.date.issued": "2024-09-25" , "dc.identifier.issn": "0947-6539" , "dc.identifier.uri": "http://hdl.handle.net/10256/25158" , "dc.description.abstract": "The aim is to determine the effect of polymer density, correlated to the comonomer content, and nanosilica addition on the mechanical and Environmental Stress Cracking Resistance (ESCR) characteristics of high-density polyethylene (HDPE). In this regard, five HDPE samples with similar Melt Flow Index (MFI) and molar mass but various densities were acquired from a petrochemical plant. Two polymerization reactors work in series and differ only in the amount of 1-buene comonomer fed to the second reactor. To ascertain the microstructure of the studied samples, GPC and SSA (successive self-nucleation and annealing) analyses were accomplished. All samples resulted having similar characteristics but slightly various SCB/1000C=7.26-9.74 (SCB=Short Chain Branching). Consequently, meanwhile studied HDPEs reveal similar notched impact and stress at yield values, the tensile modulus, stress-at-break, and elongation-at-break tend to demonstrate different results with the SCB content. More significantly, ESCR characteristic varied considerably with SCB/1000C extent, so that higher amount of SCB acknowledged advanced ESCR. Notably, blending HDPE sample containing higher amount of SCB/1000C, with 3 wt.% of chemically modified nanosilica enhanced ESCR characteristic by 40%. DFT (Density Functional Theory) calculations unveiled the role of the comonomer, quantitatively by binding energies and qualitatively by Non Covalent Interaction (NCI) plots" , "dc.description.sponsorship": "We thank theSpanish Ministerio de Ciencia e Innovación for project PID2021-127423NB-I00 and the Generalitat de Catalunya for project2021SGR623. A.P. is a Serra Húnter Fellow" , "dc.description.sponsorship": "Open Access funding provided thanks to the CRUE-CSIC agreement with Wiley" , "dc.format.mimetype": "application/pdf" , "dc.language.iso": "eng" , "dc.publisher": "Wiley" , "dc.relation": "PID2021-127423NB-I00" , "dc.relation.isformatof": "Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202401926" , "dc.relation.ispartof": "Chemistry - A European Journal, 2024, vol. 30, núm. 54, p. e202401926" , "dc.relation.ispartofseries": "Articles publicats (D-Q)" , "dc.rights": "Reconeixement 4.0 Internacional" , "dc.rights.uri": "http://creativecommons.org/licenses/by/4.0" , "dc.subject": "Polietilè" , "dc.subject": "Polyethylene" , "dc.subject": "Catalitzadors" , "dc.subject": "Catalysts" , "dc.subject": "Copolímers" , "dc.subject": "Copolymers" , "dc.title": "Improving Environmental Stress Cracking Resistance of High-Density Polyethylene Grades by Comonomer Addition and Nanocomposite Approach" , "dc.type": "info:eu-repo/semantics/article" , "dc.rights.accessRights": "info:eu-repo/semantics/openAccess" , "dc.relation.projectID": "info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-127423NB-I00/ES/CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS/" , "dc.type.version": "info:eu-repo/semantics/publishedVersion" , "dc.identifier.doi": "https://doi.org/10.1002/chem.202401926" , "dc.contributor.funder": "Agencia Estatal de Investigación" , "dc.type.peerreviewed": "peer-reviewed" , "dc.relation.FundingProgramme": "Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023" , "dc.relation.ProjectAcronym": "CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS" , "dc.identifier.eissn": "1521-3765" }