{"id":4720,"date":"2026-05-08T09:47:04","date_gmt":"2026-05-08T07:47:04","guid":{"rendered":"https:\/\/imast.biz\/?post_type=pubblicazione&#038;p=4720"},"modified":"2026-05-08T09:47:04","modified_gmt":"2026-05-08T07:47:04","slug":"a-unified-bottom-up-multiscale-strategy-to-model-gas-sensors-basedon-conductive-polymers","status":"publish","type":"pubblicazione","link":"https:\/\/imast.biz\/en\/pubblicazione\/a-unified-bottom-up-multiscale-strategy-to-model-gas-sensors-basedon-conductive-polymers\/","title":{"rendered":"A unified bottom up multiscale strategy to model gas sensors basedon conductive polymers"},"content":{"rendered":"<p><span class=\"Apple-style-span\">A multiscale bottom up procedure, based on an atomistic description, able to model the sensing mecha-nism of devices based on intrinsic conductive polymers (ICP) is described. The proposed procedure hasbeen successfully applied to describe the response of devices based on polyaniline (PANI), the most widelyused material for this application. In particular, using a recently developed Monte Carlo technique, atom-istic PANI structures at different doping levels have been modeled. Thermodynamic and conductivityproperties obtained from atomistic simulations have been bridged to a macroscopic modeling scheme,describing diffusion and reaction processes and, finally, the time dependent sensor response in goodagreement with experiments. A similar scheme has been then adopted in order to understand at molec-ular level the effect of humidity in the sensor response. The proposed approach is general and can beextended to different or more complex systems giving a useful connection between the microscopicstructure of the sensing material and the sensor behavior<\/span><\/p>\n","protected":false},"template":"","meta":{"_acf_changed":false},"class_list":["post-4720","pubblicazione","type-pubblicazione","status-publish","hentry"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.8 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>A unified bottom up multiscale strategy to model gas sensors basedon conductive polymers | IMAST<\/title>\n<meta name=\"robots\" content=\"noindex, follow\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"A unified bottom up multiscale strategy to model gas sensors basedon conductive polymers | IMAST\" \/>\n<meta property=\"og:description\" content=\"A multiscale bottom up procedure, based on an atomistic description, able to model the sensing mecha-nism of devices based on intrinsic conductive polymers (ICP) is described. The proposed procedure hasbeen successfully applied to describe the response of devices based on polyaniline (PANI), the most widelyused material for this application. 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