165140 20251219150013.0 doi 10.1016/j.jece.2025.119445 sideral 146642 ART-2025-146642 eng Urbiztondo, Miguel (orcid)0000-0002-4931-1358 Conventional porous materials as model platforms for smart gas detection: A theoretical evaluation guide 2025 The 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. info:eu-repo/grantAgreement/ES/MICINN/PID2021-126132NB-I00 info:eu-repo/grantAgreement/ES/UZ/CUD2025–13 info:eu-repo/semantics/closedAccess by-nc-nd https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Tejedor, Rosa María Universidad de Zaragoza (orcid)0000-0003-1141-5933 Pina, María Pilar Universidad de Zaragoza (orcid)0000-0001-9897-6527 Hamad, Said 5005 555 Universidad de Zaragoza Dpto. Ing.Quím.Tecnol.Med.Amb. Área Ingeniería Química 2013 765 Universidad de Zaragoza Dpto. Química Orgánica Área Química Orgánica 13, 6 (2025), 119445 [17 pp.] J. env. chem. eng. Journal of Environmental Chemical Engineering 2213-3437 13123475 http://zaguan.unizar.es/record/165140/files/texto_completo.pdf Versión publicada 2588755 http://zaguan.unizar.es/record/165140/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:165140 articulos driver 2025-12-19-14:58:24 ARTICLE