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Record Details

Record 19 of 11728
Molecular modeling of interactions in electronic nose sensors for environmental monitoring
External Online Source: hdl:2014/10177
Author and Affiliation:
Shevade, A. V.
Ryan, M. A.
Homer, M. L.
Manfreda, A. M.
Yen, S. -P. S.
Zhou, H.
Manatt, K.
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.
Publication Date: Nov 03, 2002
Document ID:
20060030066
(Acquired Sep 14, 2006)
Document Type: Conference Paper
Meeting Information: American Institute of Chemical Engineers, 2002 Annual Meeting; Indianapolis, IN; United States
Financial Sponsor: Jet Propulsion Lab., California Inst. of Tech.; Pasadena, CA, United States
Description: In English
Distribution Limits: Unclassified; Publicly available; Unlimited
Rights: Copyright
NASA Terms: AIR QUALITY; AMMONIA; CARBON; COMPUTERIZED SIMULATION; COPOLYMERS; DEPOSITION; ENVIRONMENTAL MONITORING; ETHERS; FIELD THEORY (PHYSICS); GRAPHITE; HABITATS; METHYL ALCOHOL; METHYL COMPOUNDS; MOLECULAR INTERACTIONS; MOLECULES; TARGETS
Other Descriptors: ELECTRONIC NOISE POLYMER-CARBON COMPOSITE MOLECULAR MODELING
Availability Source: Other Sources
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