ES2638965T3 - Sistema y método para investigaciones por LIBS y espectroscopía de absorción IR combinadas - Google Patents

Sistema y método para investigaciones por LIBS y espectroscopía de absorción IR combinadas Download PDF

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ES2638965T3
ES2638965T3 ES13711418.7T ES13711418T ES2638965T3 ES 2638965 T3 ES2638965 T3 ES 2638965T3 ES 13711418 T ES13711418 T ES 13711418T ES 2638965 T3 ES2638965 T3 ES 2638965T3
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data
libs
sample
prediction model
infrared energy
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Maja Kirstine ELSOEE
Henrik Vilstrup Juhl
Thomas Nikolajsen
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Foss Analytical AS
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Foss Analytical AS
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    • 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
    • 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
    • G01J3/443Emission 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
    • 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
    • G01N21/62Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
    • G01N21/71Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light thermally excited
    • G01N21/718Laser microanalysis, i.e. with formation of sample plasma
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/24Earth materials
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J1/00Photometry, e.g. photographic exposure meter
    • G01J1/02Details
    • G01J1/08Arrangements of light sources specially adapted for photometry standard sources, also using luminescent or radioactive material
    • G01J2001/083Testing response of detector
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N1/00Sampling; Preparing specimens for investigation
    • G01N1/28Preparing specimens for investigation including physical details of (bio-)chemical methods covered elsewhere, e.g. G01N33/50, C12Q
    • G01N1/286Preparing specimens for investigation including physical details of (bio-)chemical methods covered elsewhere, e.g. G01N33/50, C12Q involving mechanical work, e.g. chopping, disintegrating, compacting, homogenising
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2201/00Features of devices classified in G01N21/00
    • G01N2201/12Circuits of general importance; Signal processing
    • G01N2201/129Using chemometrical methods

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  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • Chemical & Material Sciences (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • General Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • Analytical Chemistry (AREA)
  • Engineering & Computer Science (AREA)
  • Geology (AREA)
  • Medicinal Chemistry (AREA)
  • Food Science & Technology (AREA)
  • General Life Sciences & Earth Sciences (AREA)
  • Environmental & Geological Engineering (AREA)
  • Remote Sensing (AREA)
  • Optics & Photonics (AREA)
  • Plasma & Fusion (AREA)
  • Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)

Abstract

Un sistema (102) para determinar las propiedades de una muestra que comprende un detector de LIBS (104, 106), que tiene un láser (104) para la ablación de una porción de la muestra y un espectrofotómetro óptico (106) para generar datos de LIBS que representan una variación de intensidad dependiente de la longitud de onda en la energía óptica emitida desde la porción separada; un detector de absorción de infrarrojos (108, 110), que tiene una fuente de energía infrarroja (108) para iluminar al menos una porción de la muestra con energía infrarroja y un espectrofotómetro óptico (110) para generar datos de iluminación que representan una variación de intensidad dependiente de la longitud de onda de la energía infrarroja después de su iluminación de la muestra; al menos un modelo de predicción quimiométrica en una forma utilizable por un procesador de datos (112) y cada modelo de predicción quimiométrica construido para vincular características tanto de datos de LIBS como de datos de iluminación a una propiedad específica diferente de la muestra; y un procesador de datos (112) configurado para recibir los datos de LIBS y los datos de iluminación, para construir un conjunto de datos combinado derivado de al menos una porción de los datos de LIBS y al menos una porción de los datos de iluminación, y para aplicar al menos un modelo de predicción quimiométrico al conjunto de datos combinado para generar a partir del mismo una determinación de la propiedad específica vinculada por el modelo de predicción.

Description

imagen1
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se calibró el TOC fue el método de combustión en seco en el que se controla la cantidad de CO2 liberada para una muestra de suelo calentada. En el presente ejemplo se midieron las mismas ciento seis muestras de suelo de calibración utilizando el sistema descrito en general con relación al de la figura 1. Una vez más, se emplearon los conjuntos de datos combinados de cincuenta muestras para establecer un modelo de predicción PLS y los conjuntos
5 de datos combinados de los restantes cincuenta y seis se emplearon como el conjunto de datos de validación.
El modelo de predicción PLS generado a partir de la curva ilustrada en la figura 6 que emplea el conjunto de datos combinado tiene una precisión de predicción de 0,678 (en comparación con la precisión de referencia de 0,7) y una correlación de 0,79.
10 Otros modelos de predicción para propiedades del suelo, tales como la capacidad de intercambio catiónico o "CEC" (una predicción cuantitativa típicamente expresada en cmol(+)/kg), contenido de calcio o potasio (predicciones cuantitativas expresadas típicamente en partes por millón "ppm"), pueden construirse de una manera similar y algunos o todos ellos pueden ponerse a disposición del procesador de datos 112 de la figura 1 para su aplicación a
15 conjuntos de datos combinados obtenidos para muestras de suelo desconocidas usando un sistema de acuerdo con la presente invención, tal como el ilustrado en la figura 1.
Por lo tanto, a través del presente ejemplo, se ha ilustrado que el sistema de acuerdo con la presente invención puede utilizarse para realizar mediciones cuantitativas incluso en una matriz de muestra muy compleja.
20 Se apreciará que mientras que el sistema y el método de acuerdo con la presente invención tienen una aplicación particular en el análisis de suelos, la presente invención no pretende limitarse a su uso en este campo. De hecho, la presente invención puede encontrar usos y traer sus ventajas a diversos campos tales como la detección de explosivos u otra amenaza; vigilancia o control de alimentos, bebidas y piensos; y las investigaciones de fluidos
25 biológicos. También se apreciará que la elección de la metodología de análisis no está limitada a PLS, sino que, como se conoce en la técnica de la quimiometría, puede seleccionarse después de una consideración de uno o más de, por ejemplo, la linealidad del conjunto de datos, en el tamaño y diversidad de ese conjunto de datos y si es necesario una predicción cuantitativa o cualitativa.
8

Claims (1)

  1. imagen1
ES13711418.7T 2013-03-22 2013-03-22 Sistema y método para investigaciones por LIBS y espectroscopía de absorción IR combinadas Active ES2638965T3 (es)

Applications Claiming Priority (1)

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PCT/EP2013/056091 WO2014146719A1 (en) 2013-03-22 2013-03-22 System for and method of combined libs and ir absorption spectroscopy investigations

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ES2638965T3 true ES2638965T3 (es) 2017-10-24

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US (1) US9625376B2 (es)
EP (1) EP2976620B1 (es)
CN (1) CN105008898B (es)
BR (1) BR112015023894B1 (es)
ES (1) ES2638965T3 (es)
RU (1) RU2616777C1 (es)
WO (1) WO2014146719A1 (es)

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Publication number Publication date
CN105008898A (zh) 2015-10-28
EP2976620A1 (en) 2016-01-27
EP2976620B1 (en) 2017-08-09
CN105008898B (zh) 2018-09-11
US9625376B2 (en) 2017-04-18
BR112015023894A2 (pt) 2017-07-18
WO2014146719A1 (en) 2014-09-25
US20160018325A1 (en) 2016-01-21
RU2616777C1 (ru) 2017-04-18
BR112015023894B1 (pt) 2020-05-05

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