000165140 001__ 165140
000165140 005__ 20251219150013.0
000165140 0247_ $$2doi$$a10.1016/j.jece.2025.119445
000165140 0248_ $$2sideral$$a146642
000165140 037__ $$aART-2025-146642
000165140 041__ $$aeng
000165140 100__ $$0(orcid)0000-0002-4931-1358$$aUrbiztondo, Miguel
000165140 245__ $$aConventional porous materials as model platforms for smart gas detection: A theoretical evaluation guide
000165140 260__ $$c2025
000165140 5203_ $$aThe detection of chemical warfare agents and explosive compounds remains a critical challenge in the development of advanced gas sensors. This study presents a comprehensive computational analysis of Metal-Organic Frameworks (MOFs), focusing on their potential as selective and efficient sensing materials. Several MOFs, including ZIF-3, ZIF-6, ZIF-8, and ZIF-90, were evaluated for their adsorption properties and interactions with a diverse set of hazardous analytes under varying conditions. By exploring the influence of these interactions on sensor response, the study proposes innovative methodologies that leverage the inherent chemical properties of the materials. Building upon traditional gas sensing methods, an innovative threshold-based pairing approach is proposed. This method combines normalized signal analysis with material pairing techniques to improve analyte discrimination without the need for highly specific materials. This novel strategy provides a streamlined and efficient means of utilizing experimental data, opening new possibilities for the optimization and development of gas sensors.
000165140 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-126132NB-I00$$9info:eu-repo/grantAgreement/ES/UZ/CUD2025–13
000165140 540__ $$9info:eu-repo/semantics/closedAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
000165140 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000165140 700__ $$0(orcid)0000-0003-1141-5933$$aTejedor, Rosa María$$uUniversidad de Zaragoza
000165140 700__ $$0(orcid)0000-0001-9897-6527$$aPina, María Pilar$$uUniversidad de Zaragoza
000165140 700__ $$aHamad, Said
000165140 7102_ $$15005$$2555$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Ingeniería Química
000165140 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000165140 773__ $$g13, 6 (2025), 119445 [17 pp.]$$pJ. env. chem. eng.$$tJournal of Environmental Chemical Engineering$$x2213-3437
000165140 8564_ $$s13123475$$uhttps://zaguan.unizar.es/record/165140/files/texto_completo.pdf$$yVersión publicada
000165140 8564_ $$s2588755$$uhttps://zaguan.unizar.es/record/165140/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000165140 909CO $$ooai:zaguan.unizar.es:165140$$particulos$$pdriver
000165140 951__ $$a2025-12-19-14:58:24
000165140 980__ $$aARTICLE