WO2018162398A1 - Atr spectrometer and method for analysing the chemical composition of a sample - Google Patents

Atr spectrometer and method for analysing the chemical composition of a sample Download PDF

Info

Publication number
WO2018162398A1
WO2018162398A1 PCT/EP2018/055319 EP2018055319W WO2018162398A1 WO 2018162398 A1 WO2018162398 A1 WO 2018162398A1 EP 2018055319 W EP2018055319 W EP 2018055319W WO 2018162398 A1 WO2018162398 A1 WO 2018162398A1
Authority
WO
WIPO (PCT)
Prior art keywords
infrared light
light detectors
atr
chosen
detectors
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/EP2018/055319
Other languages
English (en)
French (fr)
Inventor
Ron Laird
Andrew Wallace
Jeremy Murray
Hugo VARGAS LLANAS
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Pyreos Ltd
Original Assignee
Pyreos Ltd
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Pyreos Ltd filed Critical Pyreos Ltd
Priority to JP2019548903A priority Critical patent/JP7241021B2/ja
Priority to US16/491,068 priority patent/US11248958B2/en
Priority to EP18712092.8A priority patent/EP3593118B1/en
Publication of WO2018162398A1 publication Critical patent/WO2018162398A1/en
Anticipated expiration legal-status Critical
Ceased legal-status Critical Current

Links

Classifications

    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28Investigating the spectrum
    • G01J3/2803Investigating the spectrum using photoelectric array detector
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28Investigating the spectrum
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28Investigating the spectrum
    • G01J3/30Measuring the intensity of spectral lines directly on the spectrum itself
    • G01J3/36Investigating two or more bands of a spectrum by separate detectors
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28Investigating the spectrum
    • G01J3/42Absorption spectrometry; Double beam spectrometry; Flicker spectrometry; Reflection spectrometry
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/27Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands using photo-electric detection ; circuits for computing concentration
    • G01N21/274Calibration, base line adjustment, drift correction
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/55Specular reflectivity
    • G01N21/552Attenuated total reflection
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/28Investigating the spectrum
    • G01J2003/2866Markers; Calibrating of scan
    • G01J2003/2869Background correcting
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colours
    • G01J3/02Details
    • G01J3/0205Optical elements not provided otherwise, e.g. optical manifolds, diffusers, windows
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • G01N21/3563Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light for analysing solids; Preparation of samples therefor
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • G01N21/3577Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light for analysing liquids, e.g. polluted water

Definitions

  • the invention relates to an ATR spectrometer for analysing the chemical composition of a sample and a method for analysing the chemical composition of a sample by means of the ATR
  • a chemical composition of a sample can be analysed by means of infrared spectroscopy.
  • the infrared spectroscopy can be
  • the infrared spectroscopy can be any infrared spectrometer in which the sample is irradiated by broadband infrared light emitted by an infrared light source and an extinction spectrum of the sample is measured after the infrared light has passed through the sample.
  • the infrared spectroscopy can be any infrared spectroscopy.
  • Both the extinction spectrum and the ATR spectrum comprise a wavelength dependent measurement of the extinction of the sample, i.e. a measurement of the attenuation of the light after interaction with the sample.
  • the extinction comprises an absorption component and a scattering component, i.e.
  • extinction ( ⁇ ) absorption ( ⁇ ) +scattering ( ⁇ ) , wherein ⁇ is the wavelength, extinction ( ⁇ ) is the extinction spectrum, absorption ( ⁇ ) is the absorption component of the extinction spectrum and scattering ( ⁇ ) is the scattering component of the extinction spectrum.
  • is the wavelength
  • extinction ( ⁇ ) is the extinction spectrum
  • absorption ( ⁇ ) is the absorption component of the extinction spectrum
  • scattering ( ⁇ ) is the scattering component of the extinction spectrum.
  • the ATR spectrometer is advantageous in comparison to the extinction spectrometer if the sample contains water, since the peak related to water is less prominent in the ATR spectrum than in the extinction spectrum, whereby the peak related to water covers less other peaks in the ATR spectrum than in the extinction spectrum.
  • the intensity of the infrared light emitted by the infrared light source is temporally fluctuating, this results also in fluctuating intensities in the ATR spectra thereby also reducing their quality.
  • the ATR crystal and a linear variab le filter for passing different portions of the infrared light for measuring the extinction spectra may have limited dimensions which results also in a limited space for arranging detectors of the ATR spectrometer. This limited space for the detectors results either in a low spectral resolution for the ATR spectra or the ATR spectra can only be measured in a narrow spectral range . This also reduces the quality of the ATR spectra.
  • the ATR spectrometer for analysing the chemical composition of a sample comprises an ATR crystal having an entry surface being immediately arranged on an entry end of the ATR crystal and an exit surface being immediately arranged on an exit end of the ATR crysta 1 which is arranged opposite to the entry end, at least one infrared light source being arranged on the entry surface, a line array of infrared light detectors being arranged on the exit surface, at least one single infrared light detector being arranged on the exit surface , wherein the at least one infrared light source is adapted to emit infrared light that enters the ATR crystal via the entry surface and is guided to the infrared light detectors under total internal reflection and under interaction with the sample being arranged immediately adjacent to the ATR crystal, a wavelength dispersive element being arranged in the path of the infrared light from the exit surface to the line array so that the line array is adapted to measure a spectrum of the infrared light, and a wavelength filter being arranged in the path of
  • the infrared light is guided from the exit surface without a redirection to the infrared light detectors. This results advantageously in a simple design of the ATR spectrometer .
  • each of the single infrared detectors has a larger photoactive surface than each of the infrared light detectors of the line array. Therefore, the single infrared light detectors have a higher signal-to-noise ratio than the infrared light detectors of the line array. In case one of the single infrared light detectors is used to measure a part of the ATR spectrum, this part can be- advantageously measured with a high signal-to-noise ratio. Also it is possible to
  • the signal correction can be carried out with a high precision due to the high signal-to-noise ratio. In both cases, the large photoactive surface of the single infrared light detectors results in an increased quality of the ATR spectra.
  • the wavelength filter being arranged in the path of the
  • infrared light from the exit surface to the single infrared light detector is preferably a bandpass filter.
  • the spectral resolution for at least one of the single infrared light detectors is preferably higher than for all of the infrared light detectors of the line array. In case this single infrared light detector is used for measuring a part of the ATR
  • the signal correction can be carried out with a higher precision than it is possible with one of the infrared light detectors of the line array due to their lower spectral resolution. In both cases, the large high spectral resolution of the single infrared light detector results in an increased quality of the ATR spectra.
  • the chosen infrared light detectors are wired with all the other infrared light detectors such that during operation of the ATR spectrometer the electrical signals output by the chosen infrared light detectors are subtracted from the electrical signals output by all the other infrared light detectors.
  • the ATR spectrometer is adapted to correct the electrical signals before they are amplified and/or digitized. Also, the correction of the
  • electrical signals is carried out by a hardware rather than by a software which results in an accelerated data processing. Due to the accelerated data processing it is possible to measure ATR spectra with a higher repetition rate . The higher
  • repetition rate allows for more averaging of the ATR spectra which results in an increased quality for the ATR spectra.
  • the correction can for example comprise a subtraction of the signal value output by the chosen infrared light detectors from the signal values of all the other infrared light detectors.
  • the correction can comprise a subtraction of the inverse of the signal value output by the chosen infrared light detectors from the inverse of the signal values of all the other infrared light detectors.
  • the A R spectrometer is preferably adapted to use the electrical signal of a plurality of the chosen infrared light detectors to generate a wavelength dependent function and to correct the electrical signals of all the other infrared light detectors using the wavelength dependent function .
  • the wavelength dependent function is generated by fitting the wavelength dependent function to the signal values output by the chosen infrared light detectors and the wavelength dependent function is subtracted from the signal values output by all the other infrared light detectors.
  • the inverse of the signal values are
  • the wavelength dependent function is generated by fitting the wavelength dependent function to the inverse of the signal values output by the chosen infrared light detectors and the wavelength dependent function is subtracted from the inverse of the signal values output by all the other infrared light detectors. It is thereby possible to correct not only variations in intensity fluctuations of the infrared light source but also spectral drifts of the infrared light source. This further increases the quality of the ATR spectra.
  • At least one of the chosen infrared light detectors is one of the infrared light detectors of the line array and at least one of the chosen infrared light detectors is one of the single infrared light detectors, wherein the wavelength filter corresponding to the at least one of the chosen infrared light detectors has a transmission in a
  • corresponding to the chosen infrared light detectors are in the wavelength region where the sample has substantially no
  • the effect of scattering of the sample can be particularly well corrected since the scattering has a smaller dependence on the wavelength.
  • the method for analysing the chemical composition of a sample comprises the steps: a) providing an ATR spectrometer comprising an ATR crystal having an entry surface being immediately arranged on an entry end of the ATR crystal and an exit surface being immediately arranged on an exit end of the ATR crystal which is arranged opposite to the entry end, at least one infrared light source being arranged on the entry surface, a line array of infrared light detectors being arranged on the exit surface, at least one single
  • infrared light detector being arranged on the exit surface, wherein the at least one infrared light source is adapted to emit infrared light that enters the ATR crystal via the entry surface and is guided to the infrared light detectors under total internal reflection and under interaction with the sample being arranged immediately adjacent to the ATR crystal, a wavelength dispersive element being arranged in the path of the infrared light from the exit surface to the line array so that the line array is adapted to measure a spectrum of the infrared light, and a wavelength filter being arranged in the path of the infrared light from the exit surface to the single infrared light detector; b) choosing at least one of the infrared light detectors to be a chosen infrared light detector such that its corresponding detectable wavelength range is in a wavelength region where the sample has substantially no absorption; c) arranging the sample immediately adjacent to the ATR crystal, i.e.
  • step f) the signal value output by the chosen infrared light detectors can be subtracted from the signal values of all the other infrared light detectors.
  • the inverse of the signal value output by the chosen infrared light detectors can be subtracted from the inverse of the signal values of all the other infrared light detectors. It is preferred that in step b) only one of the infrared light detectors is chosen. In this manner, fluctuations of the intensity of the infrared light emitted by the at least one infrared light source can be effectively compensated. It is hereby preferred that a
  • the chosen infrared light detector is impinged by the infrared light of all the infrared light sources. In this manner, it is possible to compensate the fluctuations of the intensity of the infrared light emitted by a multitude of the infrared light sources by only one of the chosen infrared light detectors. For both alternatives, i.e.
  • step b) a plurality of the infrared light detectors is chosen and that the method comprises the step: el) generating a wavelength dependent function using the electrical signals of a multitude of the chosen infrared light detectors; wherein in step f ) the
  • the wavelength dependent function is generated by fitting the wavelength dependent function to the signal values output by the chosen infrared light detectors and the wavelength dependent function is subtracted from the signal values output by all the other infrared light detectors.
  • the wavelength dependent function is generated by fitting the wavelength dependent function to the inverse of the signal values output by the chosen infrared light detectors and the wavelength dependent function is subtracted from the inverse of the signal values output by all the other infra ed light detectors.
  • At least one of the chosen infrared light detectors is one of the infrared light detectors of the line array and at least one of the chosen infrared light detectors is one of the single infrared light detectors, wherein the wavelength filter corresponding to the at least one of the chosen infrared light detectors has a transmission in a wavelength region that is outside of the spectrum that can be measured by the line array. It is thereby possible to correct for the effect of scattering with a particular high precision.
  • step b) extinction spectra with
  • chemometric methods For the chemometric methods, windows of the extinction spectra, for example windows in the shape of Gaussians, are selected starting from one end of the extinction spectra to the other end of the extinction spectra and these windows are subtracted in iterations of the concentration. These corrected spectra are then passed through a partial least square (PLS) regression and the root mean square of standard error (RMSE) and R 2 of the measured versus predicted concentrations are obtained. The best R 2 , i.e. being closest to 1, and the corresponding windows are chosen for the wavelength regions where the sample has
  • PLS partial least square
  • RMSE root mean square of standard error
  • the FTIR spectrometer has a spectral resolution of at least 5 cm “1 , in particular at least 1 cm “1 . With this high spectral resolution it is particula r easy to identify the wavelength region in the extinction spectrum where the sample has substantially no absorption. It is furthermore preferred that the extinction spectrum covers a spectral range from 2 ⁇ to 20 pm.
  • the FTIR spectrometer is further
  • step a) the inventive or one of the prefer ed ATR spectrometers is provided.
  • Figure 1 shows a top view of a first embodiment of the ATR spectrometer according to the invention
  • Figure 2 shows a top view of a second embodiment of the ATR spectrometer according to the invention
  • Figure 3 shows a side view of both embodiments of the ATR spectrometer according to the invention
  • Figure 4 shows an ATR spectrum before a correction
  • Figure 5 shows the ATR spectrum after the correct ion .
  • an ATR spectrometer 1 for analysing the chemical composition of a sample comprises an ATR crystal 2, at least one infrared light source 5, a line array 6 of infrared light detectors and at least one single infrared light detector 7.
  • Figures 1 and 2 show that the at least one single infrared light detector 7 and the line array 6 are arranged separately from each other with a space being arranged between the line array 6 and the single infrared light detector 7. In case a plurality of the single infrared light detectors 7 is provided, a further space can be provided between
  • the A R crystal 2 has an entry surface 3 being immediately arranged on an entry end of the ATR crystal 2 and an exit surface 4 being
  • the sample is to be arranged immediately adjacent to the ATR crystal 2 so that the sample is in contact with the surface of the ATR crystal 2 facing away the entry surface 3 and the exit surface 4 as well as being arranged parallel to the entry surface 3 and the exit surface 4 (see Figure 3) .
  • the at least one infrared light source 5 is adapted to emit infrared light that enters the ATR crystal 2 via the entry surface 3, exits the ATR crystal 2 via the exit surface 4, and is guided to the infrared light detectors, i.e. to the line array 6 and to the at least one single infrared light detector 7, under total internal reflection and under interaction with the sample.
  • the infrared light is guided from the exit surface 4 without a redirection, i.e. without that the infrared light changes its direction, to the infrared light detectors.
  • Figure 3 shows that a wavelength dispersive element 8 is arranged in the path of the infrared light from the exit surface 4 to the line array 6 so that the line array 6 is adapted to measure a spectrum of the infrared light.
  • the wavelength dispersive element can for example be a prism, a grating and/or a linear variable filter.
  • a wavelength filter 9 is arranged in the path of the infrared light from the exit surface 4 to the single infrared light detector 7. In case a plurality of the single infrared light detectors 7 is provided, a respective wavelength filter 9 is provided for each of the single infrared light detectors 7, wherein each of the wavelength filters 9 has a different wavelength dependent transmission.
  • the infrared light detectors are adapted to output an
  • the electrical signal being indicative of the amount of the infrared light impinging on the respective infrared light detector.
  • the electrical signal can for example be an
  • the electrical signal is usually higher as the amount of light impinging on the respective infrared light detector increases.
  • At least one of the infrared light detectors is chosen to be a chosen infrared light detector for a signal correction.
  • the ATR spectrometer 1 is adapted to use the electrical signal of the chosen infrared light detectors to correct the electrical signals of all the other infrared light detectors.
  • Figure 1 shows a first embodiment for the ATR spectrometer 1.
  • first embodiment only one infrared light source 5 is provided that has a sufficiently large divergence angle in order to illuminate the complete Line array 6 and ail the single infrared light detectors 7.
  • Figure 2 shows a second embodiment for the ATR spectrometer 1. In the second
  • two of the infrared light sources 5 are provided, wherein each of the infrared light detectors is irradiated by at least one of the two infrared light sources 5.
  • this chosen infrared light detector is arranged in a location where it is irradiated by the both infrared light sources 5.
  • Figures 4 and 5 illustrate how the electrical signals of the chosen infrared, light detectors can be used to correct the electrical signals of all the other infrared light detectors.
  • Figure 4 shows an ATR spectrum 10 before a correction and
  • Figure 5 shows an ATR spectrum 11 after the correction.
  • the inverse of all the electrical signals is used and in case of Figure 4 plotted versus the frequency v.
  • Figures 4 and 5 also show the wavelength range 12 of the spectrum that can be measured by the line array 6.
  • the ATR spectrometer 1 is adapted to use the electrical signals of a plurality of the chosen infrared light detectors to generate a wavelength dependent function 16 and to correct the electrical signals of all the other infrared light detectors using the wavelength dependent function 16. At least one of the chosen infrared light detectors is one of the infrared light detectors of the line array 6. In the case of Figures 4 and 5 two of the chosen infrared light detectors are chosen from the line array 6. At least one of the chosen infrared light detectors is one of the single infrared light detectors 7. In the case of Figures 4 and 5, only one of the single infrared light detectors is one of the chosen infrared light detectors.
  • the ATR spectrometer 1 comprises three of the chosen infrared light detectors.
  • the chosen infrared light detectors are chosen such that their corresponding detectable wavelength ranges are in wavelength regions where the sample has substantially no absorption. Since the ATR spectrometer 1 has three of the chosen infrared light detectors, the ATR spectrometer 1 is adapted to measure three different wavelength regions in the ATR spectrum with
  • a first wavelength region 13 corresponds to one of the two chosen infrared light detectors of the line array 6
  • a second wavelength region 14 corresponds to the other one of the two chosen infrared light detectors of the line array 6
  • a third wavelength region 15 corresponds to the one single infrared light detector 7.
  • the wavelength regions with substantially no absorption can then be determined from the extinction spectrum.
  • the ATR spectrometer 1 is adapted to fit the wavelength
  • the wavelength dependent function 16 to the inverse of the signal values output by the chosen infrared light detectors.
  • wavelength dependent function 16 is derived, the wavelength dependent function is subtracted from the ATR spectrum 10 of Figure 4. The subtraction results in the ATR spectrum 11 of Figure 5. In this manner, spectral drifts of the at least one infrared light source 5 can be compensated and simultaneously the contribution of scattering can be eliminated from the ATR spectrum 10.
  • the chemical composition of the sample can then be analysed by applying Lambert-Beer's law to at least one part of the

Landscapes

  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • General Physics & Mathematics (AREA)
  • Biochemistry (AREA)
  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Engineering & Computer Science (AREA)
  • Mathematical Physics (AREA)
  • Theoretical Computer Science (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)
PCT/EP2018/055319 2017-03-08 2018-03-05 Atr spectrometer and method for analysing the chemical composition of a sample Ceased WO2018162398A1 (en)

Priority Applications (3)

Application Number Priority Date Filing Date Title
JP2019548903A JP7241021B2 (ja) 2017-03-08 2018-03-05 Atr分光計及びサンプルの化学組成を分析する方法
US16/491,068 US11248958B2 (en) 2017-03-08 2018-03-05 ATR spectrometer and method for analysing the chemical composition of a sample
EP18712092.8A EP3593118B1 (en) 2017-03-08 2018-03-05 Atr spectrometer and method for analysing the chemical composition of a sample

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
DE102017104872.3 2017-03-08
DE102017104872.3A DE102017104872A1 (de) 2017-03-08 2017-03-08 ATR Spektrometer und Verfahren zum Analysieren der chemischen Zusammensetzung einer Probe

Publications (1)

Publication Number Publication Date
WO2018162398A1 true WO2018162398A1 (en) 2018-09-13

Family

ID=61691925

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/EP2018/055319 Ceased WO2018162398A1 (en) 2017-03-08 2018-03-05 Atr spectrometer and method for analysing the chemical composition of a sample

Country Status (5)

Country Link
US (1) US11248958B2 (https=)
EP (1) EP3593118B1 (https=)
JP (1) JP7241021B2 (https=)
DE (1) DE102017104872A1 (https=)
WO (1) WO2018162398A1 (https=)

Families Citing this family (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN115993342A (zh) 2021-10-15 2023-04-21 谱钜科技股份有限公司 药物扫描与辨识系统及其使用方法
TWI809530B (zh) * 2021-10-15 2023-07-21 譜鉅科技股份有限公司 藥物掃描與辨識系統及其使用方法

Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5920069A (en) * 1995-03-13 1999-07-06 Datex-Ohmeda, Inc. Apparatus for automatic identification of gas samples
US20130275052A1 (en) * 2012-02-20 2013-10-17 Anton Paar Gmbh Method and device of determining a co2 content in a liquid
GB2530098A (en) * 2014-09-15 2016-03-16 Schlumberger Holdings Mid-infrared acid sensor

Family Cites Families (14)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS59171837A (ja) 1983-03-19 1984-09-28 Japan Spectroscopic Co 赤外分光装置による透過率測定におけるデ−タ補正方法
US5460973A (en) * 1994-12-20 1995-10-24 Ceramoptec Industries Inc. Method for continuous determination of volatile impurities in contaminated medium
US20030176775A1 (en) 1998-10-13 2003-09-18 Medoptix, Inc. Cleaning kit for an infrared glucose measurement system
JP4127195B2 (ja) 2003-11-21 2008-07-30 コニカミノルタセンシング株式会社 分光強度測定装置およびその校正方法ならびに分光反射特性測定装置およびその校正方法
JP2008197043A (ja) 2007-02-15 2008-08-28 Yokogawa Electric Corp 光信号測定装置
EP2133478A3 (en) * 2008-02-27 2011-10-05 Jsm Healthcare Inc Apparatus for analyzing components of urine by using atr and method thereof
DE102008054056A1 (de) * 2008-10-31 2010-05-06 Carl Zeiss Microimaging Gmbh Spektrometrische Anordnung und Verfahren zum Ermitteln eines Temperaturwerts für einen Detektor eines Spektrometers
DE102009027134A1 (de) * 2009-06-24 2010-12-30 Robert Bosch Gmbh Spektroskopischer Sensor und Messverfahren zur Bestimmung mindestens einer Konzentration
DE102013005372B4 (de) 2013-03-28 2015-03-12 Spectrolytic GmbH Vorrichtung zur spektroskopischen Messwerterfassung von physikalischen und/oder chemischen Parametern eines Messobjektes
WO2015050791A1 (en) 2013-10-04 2015-04-09 The Research Foundation For The State University Of New York Spectroscopy for gunshot residue analysis
DE102013114244B3 (de) 2013-12-17 2015-01-22 Pyreos Ltd. ATR-Infrarotspektrometer
US9182280B1 (en) 2014-08-08 2015-11-10 Thermo Scientific Portable Analytical Instruments Inc. Method for reducing frequency of taking background/reference spectra in FTIR or FTIR-ATR spectroscopy and handheld measurement device embodying same
DE102014115502A1 (de) 2014-10-24 2016-04-28 Pyreos Ltd. Hautmessgerät und Armbanduhr
US10066990B2 (en) * 2015-07-09 2018-09-04 Verifood, Ltd. Spatially variable filter systems and methods

Patent Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5920069A (en) * 1995-03-13 1999-07-06 Datex-Ohmeda, Inc. Apparatus for automatic identification of gas samples
US20130275052A1 (en) * 2012-02-20 2013-10-17 Anton Paar Gmbh Method and device of determining a co2 content in a liquid
GB2530098A (en) * 2014-09-15 2016-03-16 Schlumberger Holdings Mid-infrared acid sensor

Non-Patent Citations (1)

* Cited by examiner, † Cited by third party
Title
KIM DONG SOO ET AL: "Development of an ultra-compact mid-infrared attenuated total reflectance spectrophotometer", OPTICAL ENGINEERING, SOC. OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS, BELLINGHAM, vol. 53, no. 7, July 2014 (2014-07-01), pages 74108, XP060048678, ISSN: 0091-3286, [retrieved on 20140718], DOI: 10.1117/1.OE.53.7.074108 *

Also Published As

Publication number Publication date
JP7241021B2 (ja) 2023-03-16
EP3593118A1 (en) 2020-01-15
US11248958B2 (en) 2022-02-15
DE102017104872A1 (de) 2018-09-13
EP3593118B1 (en) 2024-10-30
JP2020513216A (ja) 2020-05-07
US20200011735A1 (en) 2020-01-09

Similar Documents

Publication Publication Date Title
US9816934B2 (en) Laser induced breakdown spectroscopy (LIBS) apparatus with automatic wavelength calibration
CN110730903B (zh) 光谱测定方法、光谱测定装置以及宽波段脉冲光源单元
US9012833B2 (en) Terahertz wave measuring apparatus and measurement method
US8080796B1 (en) Standoff spectroscopy using a conditioned target
US11243116B2 (en) Spectrometry device and spectrometry method
US20150226666A1 (en) Multiplexed spectroscopic absorbance from crds wave forms
Zhou et al. Narrow-band multi-component gas analysis based on photothermal spectroscopy and partial least squares regression method
US11248958B2 (en) ATR spectrometer and method for analysing the chemical composition of a sample
Adami et al. Light-emitting diode based shifted-excitation Raman difference spectroscopy (LED-SERDS)
WO2022059379A1 (ja) 分光測定方法、分光測定装置、製品検査方法、製品検査装置及び製品選別装置
CN108027317B (zh) 参考方案中的测量时间分布
US7796261B2 (en) Spectrophotometer
JP2020513216A5 (https=)
KR101683465B1 (ko) 다중 선방출원을 이용한 실시간 분광기 보정방법
CN111670354B (zh) 通过双重照明分析气体的方法
US20070064230A1 (en) Broadband laser spectroscopy
JP2024534086A (ja) 分光器に基づくオープン・パス・ガス検知器
US20170045446A1 (en) Method of determining the concentration of a gas component and spectrometer therefor
US20240328939A1 (en) Method and system for analysing a sample based on data
US20130208280A1 (en) Non-Dispersive Gas Analyzer
US9551614B2 (en) Devices, methods, and systems for cavity-enhanced spectroscopy
US9513164B2 (en) Stand-off spectrometry systems and methods
JPWO2018162398A5 (https=)
JP7184924B2 (ja) 水中の炭化水素汚染の測定
Wiesent et al. Linear variable filter based oil condition monitoring systems for offshore windturbines

Legal Events

Date Code Title Description
121 Ep: the epo has been informed by wipo that ep was designated in this application

Ref document number: 18712092

Country of ref document: EP

Kind code of ref document: A1

ENP Entry into the national phase

Ref document number: 2019548903

Country of ref document: JP

Kind code of ref document: A

NENP Non-entry into the national phase

Ref country code: DE

ENP Entry into the national phase

Ref document number: 2018712092

Country of ref document: EP

Effective date: 20191008