Machine learning enhanced spectroscopic analysis: towards autonomous chemical mixture characterization for rapid process optimization
Andrea Angulo, Lankun Yang, Eray S. Aydil, Miguel A. Modestino
Abstract
A supervised machine learning algorithm is developed to determine the concentrations of chemical species in multicomponent solutions from their Fourier transform infrared (FTIR) spectra.
Topics & Concepts
Fourier transform infrared spectroscopyCharacterization (materials science)Fourier transformProcess (computing)InfraredComputer scienceChemical processArtificial intelligenceBiological systemPattern recognition (psychology)Machine learningMaterials scienceAnalytical Chemistry (journal)ChemistryChemical engineeringNanotechnologyChromatographyMathematicsEngineeringPhysicsOpticsBiologyOperating systemMathematical analysisWater Quality Monitoring and AnalysisSpectroscopy and Chemometric AnalysesAdvanced Chemical Sensor Technologies