TY - CHAP A1 - Müller, Max A1 - Rück, Thomas A1 - Jobst, Simon A1 - Pangerl, Jonas A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Creating a Digital Twin of a Photoacoustic Gas Sensor for Methane Detection in Complex Gas Matrices T2 - Proceedings Optical Sensors and Sensing Congress 2022 (AIS, LACSEA, Sensors, ES): 11–15 July 2022, Vancouver, British Columbia, Canada N2 - We present the calculation results from a digital twin (DT) of our photoacoustic (PA) sensor for methane detection, regarding gas composition, temperature and pressure variations. Y1 - 2022 SN - 978-1-957171-10-4 U6 - https://doi.org/10.1364/LACSEA.2022.LW4D.2 PB - Optica Publishing Group ER - TY - INPR A1 - Müller, Max A1 - Weigl, Stefan A1 - Müller-Williams, Jennifer A1 - Lindauer, Matthias A1 - Rück, Thomas A1 - Jobst, Simon A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Ambient methane monitoring at Hohenpeißenberg utilizing photoacoustic spectroscopy and cavity ring down spectroscopy N2 - With an atmospheric concentration of approximately 2000 parts per billion (ppbV, 10−9) methane (CH4) is the second most abundant greenhouse gas (GHG) in the atmosphere after carbon dioxide (CO2). The task of long-term and spatially resolved GHG monitoring to verify whether climate policy actions are effective, is becoming more crucial as climate change progresses. In this paper we report the CH4 concentration readings of our photoacoustic (PA) sensor over a five day period at Hohenpeißenberg, Germany. As a reference device a calibrated cavity ringdown spectrometer Picarro G2301 from the meteorological observatory was employed. Trace gas measurements with photoacoustic instruments promise to provide low detection limits at comparably low costs. However, PA devices are often susceptible to cross-sensitivities related to environmental influences. The obtained results show that relaxation effects due to fluctuating environmental conditions, e.g. ambient humidity, are a non-negligible factor in PA sensor systems. Applying algorithm compensation techniques, which are capable of calculating the influence of relaxational effects on the photoacoustic signal, increase the accuracy of the photoacoustic sensor significantly. With an average relative deviation of 1.11 % from the G2301, the photoacoustic sensor shows good agreement with the reference instrument. Y1 - 2023 U6 - https://doi.org/10.5194/egusphere-2023-1010 ER - TY - JOUR A1 - Rück, Thomas A1 - Müller, Max A1 - Jobst, Simon A1 - Weigl, Stefan A1 - Pangerl, Jonas A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Digital Twin of a Photoacoustic Trace Gas Sensor for Monitoring Methane in Complex Gas Compositions JF - Sensors and Actuators B: Chemical N2 - The digitalization of industrial processes requires smart sensor systems. Photoacoustic spectroscopy is well suited for this purpose as it allows for small-sized and low-cost trace gas analysis. However, the method is susceptible to changes in measurement conditions and standard calibration routines often fail to correct for all changes. We therefore created a Digital Twin (DT) of a photoacoustic trace gas sensor for methane and evaluated it regarding variations in gas composition (CH4, N2, O2, CO2, H2O), temperature and pressure. With a mean absolute percentage error of 0.8 % the accuracy of the sensor after DT compensation significantly exceeds the 24 % achieved based on standard calibration in nitrogen. For the first time, we can fully analytically compute the photoacoustic signal under moderate ambient conditions with an error in the ppbV range by taking a holistic approach. Assuming knowledge of the underlying energy transfer processes, the model of this Digital Twin can be adapted to any microphone based photoacoustic sensor for monitoring any analyte species. KW - Digital Twin KW - Photoacoustic spectroscopy KW - Smart sensor KW - Acoustic resonance monitoring KW - CoNRad KW - Calibration-free method Y1 - 2023 U6 - https://doi.org/10.1016/j.snb.2022.133119 N1 - Preprint unter: https://doi.org/10.2139/ssrn.4215170 ; https://opus4.kobv.de/opus4-oth-regensburg/frontdoor/index/index/docId/5417 IS - 378 ER - TY - CHAP A1 - Escher, Lukas A1 - Rück, Thomas A1 - Jobst, Simon A1 - König, Martin A1 - Bierl, Rudolf T1 - Design and Characterization of a Low-Cost Photoacoustic Sensor for NO2 Using Lateral Illumination and Background Suppression T2 - Imaging and Applied Optics Congress 2022 (3D, AOA, COSI, ISA, pcAOP): 11–15 July 2022, Vancouver, British Columbia, Canada N2 - We introduce a low-cost photoacoustic NO2 sensor based on lateral LED illumination and optical background signal compensation. The 3σ limit of detection (LOD) was identified to be 24 ppbV. Y1 - 2022 SN - 978-1-957171-09-8 U6 - https://doi.org/10.1364/3D.2022.JTu2A.10 PB - Optica Publishing Group ER - TY - INPR A1 - Pangerl, Jonas A1 - Sukul, Pritam A1 - Rück, Thomas A1 - Escher, Lukas A1 - Miekisch, Wolfram A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Photoacoustic Trace-Analysis of Breath Isoprene and Acetone Via Interband- and Quantum Cascade Lasers N2 - This research presents two laser-based photoacoustic approaches for analyzing exhaled breath isoprene and acetone. The integration of a PTR-ToF-MS as a reference device ensured the reliability and accuracy of the PAS systems that is based on an ICL for isoprene and a QCL for acetone detection. The calibration yielded limits of detection of 26.9 ppbV and 1.7 ppbV, respectively, and corresponding normalized noise equivalent absorption coefficients (NNEAs) of 5.0E-9 Wcm-1Hz-0.5 and 4.9E-9 Wcm-1Hz-0.5. Laboratory as well as real breath sample measurements from alveolar breath revealed a robust system performance, with only one outlier within the static isoprene measurements. However, discrepancies emerged under dynamic breath sampling conditions, emphasizing the need for further optimization. Especially by knowing the dynamic nature and endogenous origin of exhaled isoprene our findings highlight the potential of breath analysis for non-invasive physio-metabolic and pathophysiological monitoring towards point-of-care devices. KW - photoacoustic spectroscopy KW - breath analysis/profiling KW - real-time mass spectroscopy KW - isoprene KW - acetone Y1 - 2024 U6 - https://doi.org/10.2139/ssrn.4834735 PB - Elsevier / SSRN ER - TY - JOUR A1 - Pangerl, Jonas A1 - Sukul, Pritam A1 - Rück, Thomas A1 - Escher, Lukas A1 - Miekisch, Wolfram A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Photoacoustic trace-analysis of breath isoprene and acetone via interband- and Quantum Cascade Lasers JF - Sensors and Actuators: B. Chemical N2 - This research presents two laser-based photoacoustic approaches for analyzing exhaled breath isoprene and acetone. The integration of a PTR-ToF-MS as a reference device ensured the reliability and accuracy of the photoacoustic systems that is based on an ICL for isoprene and a QCL for acetone detection. The calibration yielded limits of detection of 26.9 ppbV and 1.7 ppbV, respectively, and corresponding normalized noise equivalent absorption coefficients (NNEAs) of 5.0E-9 Wcm 1Hz 0.5 and 4.9E-9 Wcm 1Hz 0.5. Laboratory as well as real breath sample measurements from alveolar breath revealed a robust system performance, with only one outlier within the static isoprene measurements. However, discrepancies emerged under dynamic breath sampling conditions, emphasizing the need for further optimization. Especially by knowing the dynamic nature and endogenous origin of exhaled isoprene our findings highlight the potential of breath analysis for non-invasive physio-metabolic and pathophysiological monitoring towards point-of-care devices KW - Photoacoustic spectroscopy KW - Breath analysis/profiling KW - Real-time mass spectrometry KW - Isoprene KW - Acetone Y1 - 2025 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:898-opus4-77024 N1 - Corresponding author der OTH Regensburg: Jonas Pangerl VL - 424 PB - Elsevier ER - TY - CHAP A1 - Escher, Lukas A1 - Müller, Max A1 - Rück, Thomas A1 - Jobst, Simon A1 - Bierl, Rudolf T1 - Digitaler Zwilling photoakustischer Spurengassensoren zur Prozessüberwachung T2 - 16. Dresdner Sensor-Symposium 2022: Vorträge N2 - Stickstoffdioxid (NO2) wird hauptsächlich durch anthropogene Verbrennungsprozesse in Verkehr und Industrie in die Umgebungsluft eingebracht [1]. Die stark reaktive, oxidative Wirkung von NO2 kann bei Exposition mit höheren Konzentrationen Reizungen und allergische Reaktionen in den Atemwegen hervorrufen. Weiter führt NO2 zur Bildung von saurem Regen, Smog und Ozon (O3) die sich ebenso negativ auf die menschliche Gesundheit und Umwelt auswirken [2,3]. Aufgrund dieser Effekte wird die Spurengaskonzentration von NO2 in der Luft in Deutschland an ausgewählten, verkehrsreichen Orten gemessen. Y1 - 2022 SN - 978-3-9819376-7-1 U6 - https://doi.org/10.5162/16dss2022/3.3 PB - AMA (Association for Sensors + Measurement) ER - TY - JOUR A1 - Rück, Thomas A1 - Pangerl, Jonas A1 - Escher, Lukas A1 - Jobst, Simon A1 - Müller, Max A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - Kinetic cooling in mid-infrared methane photoacoustic spectroscopy: A quantitative analysis via digital twin verification JF - Photoacoustics N2 - This study presents a detailed quantitative analysis of kinetic cooling in methane photoacoustic spectroscopy, leveraging the capabilities of a digital twin model. Using a quantum cascade laser tuned to 1210.01 cm⁻¹, we investigated the effects of varying nitrogen-oxygen matrix compositions on the photoacoustic signals of 15 ppmV methane. Notably, the photoacoustic signal amplitude decreased with increasing oxygen concentration, even falling below the background signal at oxygen levels higher than approximately 6 %V. This phenomenon was attributed to kinetic cooling, where thermal energy is extracted from the surrounding gas molecules rather than added, as validated by complex vector analysis using a previously published digital twin model. The model accurately reproduced complex signal patterns through simulations, providing insights into the underlying molecular mechanisms by quantifying individual collision contributions. These findings underscore the importance of digital twins in understanding the fundamentals of photoacoustic signal generation at the molecular level. Y1 - 2024 U6 - https://doi.org/10.1016/j.pacs.2024.100652 VL - 40 PB - Elsevier ER - TY - JOUR A1 - Pangerl, Jonas A1 - Moser, Elisabeth A1 - Müller, Max A1 - Weigl, Stefan A1 - Jobst, Simon A1 - Rück, Thomas A1 - Bierl, Rudolf A1 - Matysik, Frank-Michael T1 - A sub-ppbv-level Acetone and Ethanol Quantum Cascade Laser Based Photoacoustic Sensor– Characterization and Multi-Component Spectra Recording in Synthetic Breath JF - Photoacoustics N2 - Trace gas analysis in breath is challenging due to the vast number of different components. We present a highly sensitive quantum cascade laser based photoacoustic setup for breath analysis. Scanning the range between 8263 and 8270 nm with a spectral resolution of 48 pm, we are able to quantify acetone and ethanol within a typical breath matrix containing water and CO2. We photoacoustically acquired spectra within this region of mid-infra-red light and prove that those spectra do not suffer from non-spectral interferences. The purely additive behavior of a breath sample spectrum was verified by comparing it with the independently acquired single component spectra using Pearson and Spearman correlation coefficients. A previously presented simulation approach is improved and an error attribution study is presented. With a 3σ detection limit of 6.5 ppbv in terms of ethanol and 250 pptv regarding acetone, our system is among the best performing presented so far. KW - Acetone KW - Breath analysis KW - Photoacoustic spectroscopy KW - Quantum cascade laser KW - Spectral simulation Y1 - 2023 U6 - https://doi.org/10.1016/j.pacs.2023.100473 SN - 2213-5979 N1 - Corresponding author: Jonas Pangerl VL - 30 SP - 1 EP - 12 PB - Elsevier ER - TY - CHAP A1 - Weigl, Stefan A1 - Müller, Max A1 - Pangerl, Jonas A1 - Rück, Thomas T1 - Scopes and Limits of Photoacoustic Spectroscopy in Modern Breath Analysis T2 - Breath Analysis N2 - Photoacoustic spectroscopy is a viable tool for trace gas detection in various application fields. In recent years, this technique has been exploited more and more for modern breath analysis as well. Within this chapter, a holistic overview of photoacoustic spectroscopy is presented, while maintaining the relationship to breath analysis. Therefore, a concise description of the fundamentals of photoacoustic spectroscopy is provided. This is essential for understanding the scopes and limits of this outstanding measurement technique being described within this chapter. In the past several different types of photoacoustic measurement setups for trace gas detection have emerged, including different light sources, modulation techniques, and detection schemes. These are described shortly and advantages as well as disadvantages, especially in relation to breath analysis, are highlighted. Though being a promising sensor principle, measurement devices based on photoacoustic spectroscopy are still rare on the sensor market, especially when it comes to trace gas detection in complex gas matrices, e.g., human breath exhale. One main reason is due to possible molecular interactions influencing the relaxational behavior of the analyte altering the sensor signal. Recent results shedding light on the intricate relaxational processes within complex gas matrices are discussed in detail, providing approaches to overcome this issue. Finally, various applications of photoacoustic spectroscopy in breath analysis are described demonstrating the great potential of this technology. Y1 - 2022 SN - 978-3-031-18526-7 U6 - https://doi.org/10.1007/11663_2022_22 SP - 101 EP - 159 PB - Springer nature ER -