Infrared CIE Methodology for Chemical Group Classification

Abstract

The apparatus includes a standard computer processor in operation receiving a plurality of stimulus-value signals. The apparatus includes a standard computer-readable medium storing instructions that, when executed by the processor, cause the processor to carry out a method for identifying at least one chemical of interest. The method includes the following. A chromaticity chart including a plurality of chemical groupings is generated. The at least one chemical of interest is classified as belonging to a respective chemical grouping of the plurality of chemical groupings based on the chromaticity chart and the plurality of stimulus-value signals. Optionally, the chromaticity chart includes a molecular vibrational chart. Optionally, the molecular vibrational chart includes a plurality of infrared molecular vibrational signatures of a plurality of target chemicals, a plurality of Raman molecular vibrational signatures of the plurality of target chemicals, or a plurality of terahertz molecular vibrational signatures of the plurality of target chemicals.

What is claimed as new and desired to be protected by Letters Patent of the United States is: 
     
         1 . An apparatus comprising:
 a processor in operation receiving a plurality of stimulus-value signals;   a computer-readable medium storing instructions that, when executed by said processor, cause said processor to carry out a method for identifying at least one chemical of interest, the method comprising:
 generating a chromaticity chart comprising a plurality of chemical groupings; 
 classifying the at least one chemical of interest as belonging to a respective chemical grouping of the plurality of chemical groupings based on the chromaticity chart and the plurality of stimulus-value signals. 
   
     
     
         2 . The apparatus according to  claim 1 , wherein the chromaticity chart comprises a molecular vibrational chromaticity chart. 
     
     
         3 . The apparatus according to  claim 2 , wherein the molecular vibrational chromaticity chart comprises one of a plurality of infrared (“IR”) molecular vibrational signatures of a plurality of target chemicals, a plurality of Raman molecular vibrational signatures of the plurality of target chemicals, and a plurality of terahertz molecular vibrational signatures of the plurality of target chemicals. 
     
     
         4 . The apparatus according to  claim 3 , further comprising:
 a light source in operation illuminating the chemical of interest, and   at least three optical bandpass filters with spectral overlap sufficient to generate the molecular vibrational chromaticity chart, said at least three optical bandpass filters in operation receiving light at least one of reflected from and transmitted through the chemical of interest, the chemical of interest comprising a plurality of chemical vibrational absorption-emission bands, said at least three optical bandpass filters comprising at least three respective spectral responses, the plurality of stimulus-value signals being based on the at least three respective spectral responses and the plurality of chemical vibrational absorption-emission bands; and   at least one electromagnetic receiver in operation communicating with said at least three bandpass filters and said processor, said at least three optical bandpass filters transmitting the plurality of stimulus-value signals to said at least one electromagnetic receiver, said at least one electromagnetic receiver transmitting the plurality of stimulus-value signals to said processor.   
     
     
         5 . The apparatus according to  claim 4 , wherein said light source comprises one of a broadband light source and a laser light source. 
     
     
         6 . The apparatus according to  claim 4 ,
 wherein said generating a chromaticity chart comprises:
 providing at least three vibrational-color-matching functions, the at least three vibrational-color-matching functions comprising at least three respective weighted linear transforms of the plurality of stimulus-value signals; and 
 generating the plurality of chemical groupings based on the at least three vibrational-color-matching functions. 
   
     
     
         7 . The apparatus according to  claim 6 , wherein said generating the plurality of chemical groupings based on the at least three vibrational-color-matching functions comprises:
 generating a plurality of molecular vibrational chromaticity regions respectively corresponding to the plurality of chemical groupings;   adjusting at least one of the plurality of chemical groupings and the at least three respective weighted linear transforms until the plurality of molecular vibrational chromaticity regions correspondingly include a plurality of target chemicals.   
     
     
         8 . The apparatus according to  claim 7 , wherein the vibrational-color-matching functions receive as inputs the plurality of stimulus-value signals, the vibrational-color-matching functions outputting a plurality of molecular vibrational chromaticity coordinates. 
     
     
         9 . The apparatus according to  claim 8 , wherein said classifying the chemical of interest as belonging to a respective chemical grouping of the plurality of chemical groupings comprises:
 determining a respective vibrational chromaticity region of the plurality of molecular vibrational chromaticity regions based on the plurality of vibrational chromaticity coordinates; and   determining the respective chemical grouping of the plurality of chemical groupings based on the respective vibrational chromaticity region of the plurality of vibrational chromaticity regions.   
     
     
         10 . The apparatus according to  claim 4 , wherein said at least three optical bandpass filters comprise one of at least three IR bandpass filters and at least three Raman bandpass filters. 
     
     
         11 . The apparatus according to  claim 1 , further comprising:
 at least three active polychromatic active sources illuminating the chemical of interest, said at least three active sources comprising at least three respective spectral responses, said at least three respective response comprising spectral overlap sufficient to generate the chromaticity chart;   an electromagnetic receiver receiving light at least one of reflected from and transmitted through the chemical of interest, the chemical of interest comprising a plurality of chemical vibrational absorption bands, the plurality of stimulus-value signals being based on the at least three respective spectral responses and the plurality of chemical vibrational absorption bands, said electromagnetic receiver transmitting the plurality of stimulus-value signals to said processor,   
     
     
         12 . The apparatus according to  claim 11 , wherein said at least three respective spectral responses comprise respective spectral widths each greater than 10 wavenumbers 
     
     
         13 . The apparatus according to  claim 11 , wherein said at least three active sources comprise at least three IR active sources. 
     
     
         14 . The apparatus according to  claim 11 , wherein the chemical of interest comprises chemical vibrational absorption bands,
 wherein said generating a chromaticity chart comprises:
 providing at least three vibrational-color-matching functions, the at least three vibrational-color-matching functions comprising at least three respective weighted linear transforms of the plurality of stimulus-value signals; and 
 generating the plurality of chemical groupings based on the at least three vibrational-color-matching functions. 
   
     
     
         15 . The apparatus according to  claim 14 , wherein said generating the plurality of chemical groupings based on the at least three vibrational-color-matching functions comprises:
 generating a plurality of molecular vibrational chromaticity regions respectively corresponding to the plurality of chemical groupings;   adjusting at least one of the plurality of chemical groupings and the at least three respective weighted linear transforms until the plurality of molecular vibrational chromaticity regions correspondingly include a plurality of target chemicals.   
     
     
         16 . The apparatus according to  claim 15 , wherein the vibrational-color-matching functions receive as inputs the plurality of stimulus-value signals, the vibrational-color-matching functions outputting a plurality of vibrational chromaticity coordinates. 
     
     
         17 . The apparatus according to  claim 16 , wherein said classifying the chemical of interest as belonging to a respective chemical grouping of the plurality of chemical groupings comprises:
 determining a respective vibrational chromaticity region of the plurality of molecular vibrational chromaticity regions based on the plurality of vibrational chromaticity coordinates; and   determining the respective chemical grouping of the plurality of chemical groupings based on the respective vibrational chromaticity region of the plurality of vibrational chromaticity regions.