Larissa F. Torres , Moema A. Damascena , Matheus M.A. Alves , Klebson S. Santos , Elton Franceschi , Cláudio Dariva , Vinicius A. Barros , Darley C. Melo , Gustavo R. Borges
{"title":"利用近红外光谱在线监测高压天然气成分(碳氢化合物、水和二氧化碳含量","authors":"Larissa F. Torres , Moema A. Damascena , Matheus M.A. Alves , Klebson S. Santos , Elton Franceschi , Cláudio Dariva , Vinicius A. Barros , Darley C. Melo , Gustavo R. Borges","doi":"10.1016/j.vibspec.2024.103653","DOIUrl":null,"url":null,"abstract":"<div><p>The natural gas production from Brazilian pre-salt fields imposed new challenges for petrochemical industry. Actual treatment facilities are not adequate for this new scenario and studies have been conducted to apply new adsorbents materials and membranes for water and CO<sub>2</sub> removal from natural gas at high pressures. To better develop such investigations, sensors for on-line monitoring of natural gas properties like CO<sub>2</sub><span> and water content are important, since their presence affects the quality of the final product. Near infrared (NIR) spectroscopy associated to chemometric models (partial least squares) were employed for on-line monitoring of representative natural gas systems (methane/CO</span><sub>2</sub>, methane/water and methane/CO<sub>2</sub>/water) and a real natural gas at temperature and pressure ranges from 20 to 60 °C and 10 to 200 bar, respectively, water content up to gas saturation and CO<sub>2</sub><span> content up to 50 wt%. Water solubility values used as reference for NIR Spectrometer calibration in model systems were taken from the literature and for real natural gas calculated with Cubic Plus Association (CPA) Equation of State (EoS), while CO</span><sub>2</sub><span> content was experimentally controlled aiming to calibrate the chemometric models in the full range of pressure and temperature. Several strategies were adopted for the chemometric model’s development to obtain the best correlation between NIR spectra and experimental data. Results indicate good correlation in both calibration and validation steps attaining linear correlation coefficients (R</span><sup>2</sup><span>) higher than 0.96 for all systems investigated. The proposed methodology is a potential tool for on-line monitoring of natural gas composition, including CO</span><sub>2</sub> and water content, at high-pressures and can be applied at petrochemical industries or in laboratories, dispensing sampling or any sample preparation.</p></div>","PeriodicalId":23656,"journal":{"name":"Vibrational Spectroscopy","volume":"131 ","pages":"Article 103653"},"PeriodicalIF":2.7000,"publicationDate":"2024-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Use of near-infrared spectroscopy for the online monitoring of natural gas composition (hydrocarbons, water and CO2 content) at high pressure\",\"authors\":\"Larissa F. Torres , Moema A. Damascena , Matheus M.A. Alves , Klebson S. Santos , Elton Franceschi , Cláudio Dariva , Vinicius A. Barros , Darley C. Melo , Gustavo R. Borges\",\"doi\":\"10.1016/j.vibspec.2024.103653\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The natural gas production from Brazilian pre-salt fields imposed new challenges for petrochemical industry. Actual treatment facilities are not adequate for this new scenario and studies have been conducted to apply new adsorbents materials and membranes for water and CO<sub>2</sub> removal from natural gas at high pressures. To better develop such investigations, sensors for on-line monitoring of natural gas properties like CO<sub>2</sub><span> and water content are important, since their presence affects the quality of the final product. Near infrared (NIR) spectroscopy associated to chemometric models (partial least squares) were employed for on-line monitoring of representative natural gas systems (methane/CO</span><sub>2</sub>, methane/water and methane/CO<sub>2</sub>/water) and a real natural gas at temperature and pressure ranges from 20 to 60 °C and 10 to 200 bar, respectively, water content up to gas saturation and CO<sub>2</sub><span> content up to 50 wt%. Water solubility values used as reference for NIR Spectrometer calibration in model systems were taken from the literature and for real natural gas calculated with Cubic Plus Association (CPA) Equation of State (EoS), while CO</span><sub>2</sub><span> content was experimentally controlled aiming to calibrate the chemometric models in the full range of pressure and temperature. Several strategies were adopted for the chemometric model’s development to obtain the best correlation between NIR spectra and experimental data. Results indicate good correlation in both calibration and validation steps attaining linear correlation coefficients (R</span><sup>2</sup><span>) higher than 0.96 for all systems investigated. The proposed methodology is a potential tool for on-line monitoring of natural gas composition, including CO</span><sub>2</sub> and water content, at high-pressures and can be applied at petrochemical industries or in laboratories, dispensing sampling or any sample preparation.</p></div>\",\"PeriodicalId\":23656,\"journal\":{\"name\":\"Vibrational Spectroscopy\",\"volume\":\"131 \",\"pages\":\"Article 103653\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-01-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Vibrational Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0924203124000067\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vibrational Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0924203124000067","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Use of near-infrared spectroscopy for the online monitoring of natural gas composition (hydrocarbons, water and CO2 content) at high pressure
The natural gas production from Brazilian pre-salt fields imposed new challenges for petrochemical industry. Actual treatment facilities are not adequate for this new scenario and studies have been conducted to apply new adsorbents materials and membranes for water and CO2 removal from natural gas at high pressures. To better develop such investigations, sensors for on-line monitoring of natural gas properties like CO2 and water content are important, since their presence affects the quality of the final product. Near infrared (NIR) spectroscopy associated to chemometric models (partial least squares) were employed for on-line monitoring of representative natural gas systems (methane/CO2, methane/water and methane/CO2/water) and a real natural gas at temperature and pressure ranges from 20 to 60 °C and 10 to 200 bar, respectively, water content up to gas saturation and CO2 content up to 50 wt%. Water solubility values used as reference for NIR Spectrometer calibration in model systems were taken from the literature and for real natural gas calculated with Cubic Plus Association (CPA) Equation of State (EoS), while CO2 content was experimentally controlled aiming to calibrate the chemometric models in the full range of pressure and temperature. Several strategies were adopted for the chemometric model’s development to obtain the best correlation between NIR spectra and experimental data. Results indicate good correlation in both calibration and validation steps attaining linear correlation coefficients (R2) higher than 0.96 for all systems investigated. The proposed methodology is a potential tool for on-line monitoring of natural gas composition, including CO2 and water content, at high-pressures and can be applied at petrochemical industries or in laboratories, dispensing sampling or any sample preparation.
期刊介绍:
Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation.
The topics covered by the journal include:
Sampling techniques,
Vibrational spectroscopy coupled with separation techniques,
Instrumentation (Fourier transform, conventional and laser based),
Data manipulation,
Spectra-structure correlation and group frequencies.
The application areas covered include:
Analytical chemistry,
Bio-organic and bio-inorganic chemistry,
Organic chemistry,
Inorganic chemistry,
Catalysis,
Environmental science,
Industrial chemistry,
Materials science,
Physical chemistry,
Polymer science,
Process control,
Specialized problem solving.