Target analyte detection and quantification in sample gases with complex background compositions

1. A method comprising:

receiving, at one or more programmable processors, background composition concentration data representative of an actual background composition of a gas sample, the background composition concentration data comprising data obtained for the gas sample using a first analysis approach, the actual background composition comprising a plurality of chemical species, wherein the first analysis approach includes Raman spectroscopy, and the background composition concentration data includes Raman spectral data;

further receiving, at the one or more programmable processors, absorption spectroscopy data for the gas sample, the absorption spectroscopy data obtained by a second analysis approach comprising absorption spectroscopy;

modeling, by the one or more programmable processors, the absorption spectroscopy data as one or more functions of the actual background composition of the gas sample, the modeling comprising generating mathematical representations of structural interference and/or collisional broadening effects based on the actual background composition concentration data;

correcting, by the one or more programmable processors, based on the modeling, an analysis of the absorption spectroscopy data, the correcting comprising applying one or more multivariate regression analysis algorithms to compensate for structural interference and/or collisional broadening effects on the absorption spectroscopy data due to the actual background composition of the gas sample; and

determining, by the one or more programmable processors, a concentration of a target analyte concentration in the gas sample based on the corrected analysis of the absorption spectroscopy data obtained by the second analysis approach.

2. The method of claim 1 , wherein the actual background composition comprises a plurality of chemical species whose concentrations in the gas sample vary sufficiently over time to cause variation in the determined target analyte concentration if the one or more multivariate regression analysis algorithms are not applied to correct the analysis of the absorption spectroscopy data obtained by the second analysis approach.

3. The method of claim 1 , wherein the absorption spectroscopy data are obtained substantially simultaneously to the Raman spectral data.

4. The method of claim 1 , wherein the absorption spectroscopy data are obtained sequentially with the Raman spectral data.

5. The method of claim 1 , wherein the Raman spectral data are obtained in situ on a gas within a gas source, and wherein the gas sample for use in the second analysis approach is extracted from the gas source substantially concurrently with the obtaining of the Raman spectral data.

6. The method of claim 1 , further comprising determining a temperature and/or a pressure of the gas sample based on the Raman spectral data.

7. The method of claim 1 , wherein the Raman spectral data comprises measurements over wavenumbers indicative of one or more of: hydrocarbon species, hydrogen gas (Hz), nitrogen gas (N 2 ), oxygen gas (O 2 ), chlorine gas (Cl 2 ), carbon dioxide (CO 2 ), carbon monoxide (CO), ammonia (NH 3 ), hydrogen-sulfide (H 2 S), sulfur compounds, fluoro-carbons, chloro-carbons, hydro-fluoro-carbons, hydro-fluoro-chloro-carbons, and hydro-chloro-carbons.

8. The method of claim 1 , wherein the sample gas comprises hydrocarbon gases.

9. The method of claim 1 , wherein the one or more target analyte comprises at least one of acids, bases, hydrogen sulfide (H 2 S), other sulfur compounds, hydrogen chloride (HCl), hydrogen fluoride (HF), hydrogen bromide (HBr), other acids, water or water vapor (H 2 O), hydrogen cyanide (HCN), ammonia (NH 3 ), arsine (AsH 3 ), phosphine (PH 3 ), oxygen (O 2 ) carbon monoxide (CO), carbon dioxide (CO 2 ), methane (CH 4 ), ethane (C 2 H 6 ), ethene (C 2 H 4 ), ethylene (C 2 H 2 ), other hydrocarbons, hydro-fluoro-carbons, hydro-chloro-carbons, and hydro-fluoro-chloro-carbons.

10. The method of claim 1 , wherein the second analysis approach comprises at least one of tunable diode laser absorption spectroscopy, tunable semiconductor laser absorption spectroscopy, and infrared spectroscopy using filter-based and/or grating-based light sources.

11. The method of claim 1 , further comprising obtaining the absorption spectroscopy data for the gas sample via operation of an absorption spectrometer and obtaining the Raman spectral data via operation of a Raman spectrometer.

12. A system comprising:

computer hardware configured to perform operations comprising:

receiving background composition concentration data representative of an actual background composition of a gas sample, the background composition concentration data comprising data obtained for the gas sample using a first analysis approach, the actual background composition comprising a plurality of chemical species, wherein the first analysis approach includes Raman spectroscopy, and the background composition concentration data includes Raman spectral data;

further receiving absorption spectroscopy data for the gas sample, the absorption spectroscopy data obtained by a second analysis approach comprising absorption spectroscopy;

modeling the absorption spectroscopy data as one or more functions of the actual background composition of the gas sample, the modeling comprising generating mathematical representations of structural interference and/or collisional broadening effects based on the actual background composition concentration data;

correcting, based on the modeling, an analysis of the absorption spectroscopy data, the correcting comprising applying one or more multivariate regression analysis algorithms to compensate for structural interference and/or collisional broadening effects on the absorption spectroscopy data due to the actual background composition of the gas sample; and

determining a concentration of a target analyte concentration in the gas sample based on the corrected analysis of the absorption spectroscopy data obtained by the second analysis approach.

13. The system of claim 12 , wherein the actual background composition comprises a plurality of chemical species whose concentrations in the gas sample vary sufficiently between over time to cause variation in the determined target analyte concentration if the one or more multivariate regression analysis algorithms are not applied to correct the analysis of the absorption spectroscopy data obtained by the second analysis approach.

14. The system of claim 12 , further comprising a Raman spectroscopy subsystem for obtaining Raman spectral data as the background composition concentration data, and further comprising an absorption spectroscopy subsystem for executing the second analysis approach.

15. The system of claim 14 , wherein the Raman spectroscopy subsystem comprises an in situ probe configured to obtain the Raman spectral data from within a gas source, and wherein the system includes a gas sampling system for extracting the gas sample from the gas source substantially concurrently with the obtaining of the Raman spectral data by the probe.

16. The system of claim 12 , wherein the modeling comprises generating mathematical representations of structural interference and collisional broadening effects.

17. A computer program product comprising a non-transitory computer-readable medium storing instructions that, when executed by at least one programmable processor, cause the at least one programmable processor to perform operations comprising:

receiving background composition concentration data representative of an actual background composition of a gas sample, the background composition concentration data comprising data obtained for the gas sample using a first analysis approach, the actual background composition comprising a plurality of chemical species, wherein the first analysis approach includes Raman spectroscopy, and the background composition concentration data includes Raman spectral data;

further receiving absorption spectroscopy data for the gas sample, the absorption spectroscopy data obtained by a second analysis approach comprising absorption spectroscopy;

modeling the absorption spectroscopy data as one or more functions of the actual background composition of the gas sample, the modeling comprising generating mathematical representations of structural interference and/or collisional broadening effects based on the actual background composition concentration data;

correcting, based on the modeling, an analysis of the absorption spectroscopy data, the correcting comprising applying one or more multivariate regression analysis algorithms to compensate for structural interference and/or collisional broadening effects on the absorption spectroscopy data due to the actual background composition of the gas sample; and

determining a concentration of a target analyte concentration in the gas sample based on the corrected analysis of the absorption spectroscopy data obtained by the second analysis approach.

18. The method of claim 1 , wherein the modeling comprises generating mathematical representations of structural interference and collisional broadening effects.