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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Palomba, Damián | - |
| dc.creator | Vazquez, Gustavo Esteban | - |
| dc.creator | Diaz, Monica Fatima | - |
| dc.date | 2017-10-10T16:03:31Z | - |
| dc.date | 2017-10-10T16:03:31Z | - |
| dc.date | 2014-09-26 | - |
| dc.date | 2017-09-25T18:22:50Z | - |
| dc.date.accessioned | 2019-04-29T15:52:30Z | - |
| dc.date.available | 2019-04-29T15:52:30Z | - |
| dc.date.issued | 2014-09-26 | - |
| dc.identifier | Palomba, Damián; Vazquez, Gustavo Esteban; Diaz, Monica Fatima; Prediction of elongation at break for linear polymers; Elsevier Science; Chemometrics and Intelligent Laboratory Systems; 139; 26-9-2014; 121-131 | - |
| dc.identifier | 0169-7439 | - |
| dc.identifier | http://hdl.handle.net/11336/26340 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/304334 | - |
| dc.description | In this paper we present results on prediction of elongation at break (target property) for a group of 77 amorphous polymers of high molecular weight. Novel descriptors are proposed in order to better represent structural features related to the target property. These proposed descriptors along with the classic ones, were calculated for the set of polymers. The final descriptors of the predictive model were obtained by using a combination of variable selection method and domain knowledge. The model consisted of three descriptors: Cross-head Speed (CHS), Number Average Molecular Weight/Main Chain Surface Area ratio (Mn/SAMC), and Normalized Main Chain Mass (nMMC). By means of a multi-layer perceptron (MLP) neural network a good prediction model (R2 = 0.88 and MAE = 1.89) was achieved, which was internally and externally validated. The model shows the advantages of using well-known parameters in the field of polymers and of capturing the structural characteristics of the main and side chains. Thus, more intelligent tools are developed for the design of new materials with a specific application profile. | - |
| dc.description | Fil: Palomba, Damián. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina | - |
| dc.description | Fil: Vazquez, Gustavo Esteban. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina. Universidad católica del Uruguay. Facultad de Ingeniería y Tecnologías; Uruguay | - |
| dc.description | Fil: Diaz, Monica Fatima. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina. Universidad Nacional del Sur. Departamento de Ciencias e Ingeniería de la Computación. Laboratorio de Investigación y Desarrollo en Computación Científica; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier Science | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0169743914001981 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.chemolab.2014.09.009 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | Quantitative structure-property relationships | - |
| dc.subject | Molecular modeling | - |
| dc.subject | Elongation at break | - |
| dc.subject | Mechanical properties | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Prediction of elongation at break for linear polymers | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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