Computer-assisted infrared identification of vapor-phase mixture components.
The IRBASE/MIXIR system was originally tested on interpretation of infrared spectra of condensed-phase mixtures. The system has now been adapted to allow interpretation of vapor-phase mixture spectra. The dynamic interpretation capabilities of the system have been expanded to allow runtime manipulation of complete peak lists, allowing generation of the optimum spectral description for the interpretation at hand. The modifications to the system are described, along with the results of testing on actual mixtures of varying complexity.
Wythoff
B
B
Department of Chemistry, University of New Hampshire, Durham 03824.
Xiao
H K
HK
Levine
S P
SP
Tomellini
S A
SA
D001185:Artificial Intelligence; D002625:Chemistry, Organic; D016208:Databases, Factual; D055601:Organic Chemistry Phenomena; D012984:Software; D013055:Spectrophotometry, Infrared