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Molecular modeling of interactions in electronic nose sensors for environmental monitoring

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dc.contributor.author Shevade, A.V. en_US
dc.contributor.author Ryan, M.A. en_US
dc.contributor.author Homer, M. L. en_US
dc.contributor.author Manfreda, A.M. en_US
dc.contributor.author Yen, S.-P.S. en_US
dc.contributor.author Zhou, H. en_US
dc.contributor.author Manatt, K. en_US
dc.date.accessioned 2004-09-17T18:21:05Z
dc.date.available 2004-09-17T18:21:05Z
dc.date.issued 2002-11-03 en_US
dc.identifier.citation American Institute of Chemical Engineers, 2002 Annual Meeting en_US
dc.identifier.citation Indianapolis, IN, USA en_US
dc.identifier.clearanceno 02-2247 en_US
dc.identifier.uri http://hdl.handle.net/2014/10177
dc.description.abstract We report a study aimed at understanding analyte interactions with sensors made from polymer-carbon black composite films. The sensors are used in an Electronic Nose (ENose) which is used for monitoring the breathing air quality in human habitats. The model mimics the experimental conditions of the composite film deposition and formation and was developed using molecular modeling and simulation tools. The Dreiding 2.21 Force Field was used for the polymer and analyte molecules while graphite parameters were assigned to the carbon black atoms. The polymer considered for this work is methyl vinyl ether / maleic acid copolymer. The target analytes include both inorganic (NH3) and organic (methanol) types of compound. Results indicate different composite-analyte interaction behavior. en_US
dc.format.extent 3336027 bytes
dc.format.mimetype application/pdf
dc.language.iso en_US
dc.subject.other electronic noise polymer-carbon composite molecular modeling en_US
dc.title Molecular modeling of interactions in electronic nose sensors for environmental monitoring en_US


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