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  <doc>
    <id>2586</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>352,1</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Characterizing a sensitive compact mid-infrared photoacoustic sensor for methane, ethane and acetylene detection considering changing ambient parameters and bulk composition (N2, O2 and H2O)</title>
    <abstract language="eng">We present a sensitive and compact interband cascade laser (ICL) based photoacoustic setup for the detection of gaseous hydrocarbons and discuss its applicability towards trace gas analysis. We investigated the performance of the sensor for trace concentrations of methane, ethane and acetylene diluted in nitrogen. The excitation of methane and ethane was accomplished using one tunable diode laser, covering a range from 3360 to 3372 nm, which was replaced by a separate ICL at 3025 nm for acetylene detection. The influence of ambient parameters such as temperature, flow rate and pressure as well as potential cross-sensitivities towards O2 and H2O have been examined in terms of methane and acetylene detection. A series of simulations proved several of these influences to be attributed to relaxation effects. With a 3σ limit of detection (LoD) of 6.8 parts per billion (ppbV) in case of methane, 2.3 ppbV regarding ethane and 3.6 ppbV in terms of acetylene, the sensor demonstrates a great potential for applications in the field of trace gas analysis.</abstract>
    <parentTitle language="eng">Sensors and Actuators B: Chemical</parentTitle>
    <identifier type="doi">10.1016/j.snb.2021.130962</identifier>
    <identifier type="urn">urn:nbn:de:bvb:898-opus4-25868</identifier>
    <note>Corresponding author: Jonas Pangerl</note>
    <enrichment key="opus.import.date">2022-01-27T15:33:58+00:00</enrichment>
    <enrichment key="opus.source">sword</enrichment>
    <enrichment key="opus.import.user">importuser</enrichment>
    <enrichment key="BegutachtungStatus">peer-reviewed</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Jonas Pangerl</author>
    <author>Max Müller</author>
    <author>Thomas Rück</author>
    <author>Stefan Weigl</author>
    <author>Rudolf Bierl</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Acetylene</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cross-sensitivities</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ethane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interband cascade laser</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Methane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photoacoustic spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Relaxation effects</value>
    </subject>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="oaweg" number="">Hybrid Open Access - OA-Veröffentlichung in einer Subskriptionszeitschrift/-medium</collection>
    <collection role="oaweg" number="">Corresponding author der OTH Regensburg</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
    <thesisPublisher>Ostbayerische Technische Hochschule Regensburg</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-oth-regensburg/files/2586/Pangerl_photoacousticsensor.pdf</file>
  </doc>
  <doc>
    <id>3993</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>26</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2022-05-18</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">An Algorithmic Approach to Compute the Effect of Non-Radiative Relaxation Processes in Photoacoustic Spectroscopy</title>
    <abstract language="eng">Successful transfer of photoacoustic gas sensors from laboratory to real-life applications requires knowledge about potential cross-sensitivities towards environmental and gas matrix changes. Multi-dimensional calibration in case of cross-sensitivities can become very complex or even unfeasible. To address this challenge, we present a novel algorithm to compute the collision based non-radiative efficiency and phase lag of energy relaxation on a molecular level (CoNRad) for photoacoustic signal calculation. This algorithmic approach allows to calculate the entire elaxation cascade of arbitrarily complex systems, yielding a theoretical photoacoustic signal. In this work the influence of varying bulk compositions, i.e. nitrogen (N2), oxygen (O2) and water (H2O) on the photoacoustic signal during methane (CH4) detection is demonstrated. The applicability of the algorithm to other photoacoustic setups is shown exemplary by applying it to the relaxational system investigated in [1]. Hayden et al. examined the effect of water on photoacoustic carbon monoxide (CO) detection.</abstract>
    <parentTitle language="deu">Photoacoustics</parentTitle>
    <identifier type="doi">10.1016/j.pacs.2022.100371</identifier>
    <identifier type="urn">urn:nbn:de:bvb:898-opus4-39935</identifier>
    <note>Corresponding author: Max Müller</note>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="CorrespondingAuthor">Müller, Max</enrichment>
    <enrichment key="AmountAPC">1.820 EUR</enrichment>
    <enrichment key="BegutachtungStatus">peer-reviewed</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Max Müller</author>
    <author>Thomas Rück</author>
    <author>Simon Jobst</author>
    <author>Jonas Pangerl</author>
    <author>Stefan Weigl</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="oaweg" number="">Gold Open Access- Erstveröffentlichung in einem/als Open-Access-Medium</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="oaweg" number="">Corresponding author der OTH Regensburg</collection>
    <collection role="funding" number="">Projektmittel</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
    <thesisPublisher>Ostbayerische Technische Hochschule Regensburg</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-oth-regensburg/files/3993/Mueller_Photoacoustics.pdf</file>
  </doc>
  <doc>
    <id>5417</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber>22</pageNumber>
    <edition/>
    <issue/>
    <volume/>
    <type>preprint</type>
    <publisherName>Elsevier / SSRN</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Digital Twin of a Photoacoustic Trace Gas Sensor for Monitoring Methane in Complex Gas Compositions</title>
    <abstract language="eng">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.</abstract>
    <identifier type="doi">10.2139/ssrn.4215170</identifier>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Thomas Rück</author>
    <author>Max Müller</author>
    <author>Simon Jobst</author>
    <author>Stefan Weigl</author>
    <author>Jonas Pangerl</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="oaweg" number="">Diamond Open Access - OA-Veröffentlichung ohne Publikationskosten (Sponsoring)</collection>
  </doc>
  <doc>
    <id>5442</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName>Optica Publishing Group</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Creating a Digital Twin of a Photoacoustic Gas Sensor for Methane Detection in Complex Gas Matrices</title>
    <abstract language="deu">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.</abstract>
    <parentTitle language="eng">Proceedings Optical Sensors and Sensing Congress 2022 (AIS, LACSEA, Sensors, ES): 11–15 July 2022, Vancouver, British Columbia, Canada</parentTitle>
    <identifier type="doi">10.1364/LACSEA.2022.LW4D.2</identifier>
    <identifier type="isbn">978-1-957171-10-4</identifier>
    <enrichment key="OtherSeries">Technical Digest Series (Optica Publishing Group, 2022), paper LW4D.2.</enrichment>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Max Müller</author>
    <author>Thomas Rück</author>
    <author>Simon Jobst</author>
    <author>Jonas Pangerl</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>6077</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>preprint</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ambient methane monitoring at Hohenpeißenberg utilizing photoacoustic spectroscopy and cavity ring down spectroscopy</title>
    <abstract language="eng">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.</abstract>
    <identifier type="doi">10.5194/egusphere-2023-1010</identifier>
    <enrichment key="CorrespondingAuthor">Max Müller</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Max Müller</author>
    <author>Stefan Weigl</author>
    <author>Jennifer Müller-Williams</author>
    <author>Matthias Lindauer</author>
    <author>Thomas Rück</author>
    <author>Simon Jobst</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>5933</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>378</issue>
    <volume/>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Digital Twin of a Photoacoustic Trace Gas Sensor for Monitoring Methane in Complex Gas Compositions</title>
    <abstract language="eng">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.</abstract>
    <parentTitle language="deu">Sensors and Actuators B: Chemical</parentTitle>
    <identifier type="doi">10.1016/j.snb.2022.133119</identifier>
    <note>Preprint unter: https://doi.org/10.2139/ssrn.4215170 ; https://opus4.kobv.de/opus4-oth-regensburg/frontdoor/index/index/docId/5417</note>
    <enrichment key="BegutachtungStatus">peer-reviewed</enrichment>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Thomas Rück</author>
    <author>Max Müller</author>
    <author>Simon Jobst</author>
    <author>Stefan Weigl</author>
    <author>Jonas Pangerl</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Digital Twin</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Photoacoustic spectroscopy</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Smart sensor</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Acoustic resonance monitoring</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>CoNRad</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Calibration-free method</value>
    </subject>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>6538</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName>Optica Publishing Group</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Using a Modulated Quantum Cascade Laser for Photoacoustic Spectra Recording of Exhaled Acetone and Main Breath Components</title>
    <abstract language="eng">Photoacoustic spectra of main breath components together with acetone are presented demonstrating spectral linearity towards different concentrations and compositions. The acetone 3σ detection limit at 1209 cm−1 is 0.28 ppbV</abstract>
    <parentTitle language="deu">Optical Sensors and Sensing Congress 2022 (AIS, LACSEA, Sensors, ES)</parentTitle>
    <identifier type="doi">10.1364/AIS.2022.ATu3G.1</identifier>
    <enrichment key="OtherSeries">Technical Digest Series (Optica Publishing Group, 2022), paper ATu3G.1.</enrichment>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Jonas Pangerl</author>
    <author>Elisabeth Wittmann</author>
    <author>Stefan Weigl</author>
    <author>Max Müller</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>5752</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName>AMA (Association for Sensors + Measurement)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation>DECHEMA, Gesellschaft für Chemische Technik und Biotechnologie</contributingCorporation>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Digitaler Zwilling photoakustischer Spurengassensoren zur Prozessüberwachung</title>
    <abstract language="deu">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.</abstract>
    <parentTitle language="deu">16. Dresdner Sensor-Symposium 2022: Vorträge</parentTitle>
    <identifier type="doi">10.5162/16dss2022/3.3</identifier>
    <identifier type="isbn">978-3-9819376-7-1</identifier>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Lukas Escher</author>
    <author>Max Müller</author>
    <author>Thomas Rück</author>
    <author>Simon Jobst</author>
    <author>Rudolf Bierl</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>7737</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>40</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Kinetic cooling in mid-infrared methane photoacoustic spectroscopy: A quantitative analysis via digital twin verification</title>
    <abstract language="eng">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.</abstract>
    <parentTitle language="eng">Photoacoustics</parentTitle>
    <identifier type="doi">10.1016/j.pacs.2024.100652</identifier>
    <enrichment key="BegutachtungStatus">peer-reviewed</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>Thomas Rück</author>
    <author>Jonas Pangerl</author>
    <author>Lukas Escher</author>
    <author>Simon Jobst</author>
    <author>Max Müller</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="oaweg" number="">Gold Open Access- Erstveröffentlichung in einem/als Open-Access-Medium</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
  </doc>
  <doc>
    <id>5937</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>30</volume>
    <type>article</type>
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    <title language="eng">A sub-ppbv-level Acetone and Ethanol Quantum Cascade Laser Based Photoacoustic Sensor– Characterization and Multi-Component Spectra Recording in Synthetic Breath</title>
    <abstract language="eng">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.</abstract>
    <parentTitle language="eng">Photoacoustics</parentTitle>
    <identifier type="doi">10.1016/j.pacs.2023.100473</identifier>
    <identifier type="issn">2213-5979</identifier>
    <note>Corresponding author: Jonas Pangerl</note>
    <enrichment key="opus.import.date">2023-04-11T12:12:35+00:00</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Jonas Pangerl</author>
    <author>Elisabeth Moser</author>
    <author>Max Müller</author>
    <author>Stefan Weigl</author>
    <author>Simon Jobst</author>
    <author>Thomas Rück</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Acetone</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Breath analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photoacoustic spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quantum cascade laser</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spectral simulation</value>
    </subject>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="oaweg" number="">Gold Open Access- Erstveröffentlichung in einem/als Open-Access-Medium</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
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  </doc>
  <doc>
    <id>6548</id>
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    <publishedYear>2023</publishedYear>
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    <language>eng</language>
    <pageFirst>4263</pageFirst>
    <pageLast>4270</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>Copernicus Publications</publisherName>
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    <completedDate>--</completedDate>
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    <title language="eng">Comparison of photoacoustic spectroscopy and cavity ring-down spectroscopy for ambient methane monitoring at Hohenpeißenberg</title>
    <abstract language="eng">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 5 d period at Hohenpeißenberg, Germany. As a reference device, a calibrated cavity ring-down spectrometer, Picarro G2301, from the meteorological observatory of the German Weather Service (DWD) 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 fluctuating environmental conditions, e.g. ambient humidity. The obtained results show that for PA sensor systems non-radiative relaxation effects induced by varying humidity are a non-negligible factor. Applying algorithm compensation techniques, which are capable of calculating the influence of non-radiative relaxation 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.</abstract>
    <parentTitle language="eng">Atmospheric Measurement Techniques</parentTitle>
    <identifier type="doi">10.5194/amt-16-4263-2023</identifier>
    <identifier type="issn">1867-8548</identifier>
    <enrichment key="opus.import.date">2023-10-16T20:23:06+00:00</enrichment>
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    <author>Max Müller</author>
    <author>Stefan Weigl</author>
    <author>Jennifer Müller-Williams</author>
    <author>Matthias Lindauer</author>
    <author>Thomas Rück</author>
    <author>Simon Jobst</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="oaweg" number="">Gold Open Access- Erstveröffentlichung in einem/als Open-Access-Medium</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
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  </doc>
  <doc>
    <id>6146</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
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    <language>eng</language>
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    <type>preprint</type>
    <publisherName>Elsevier</publisherName>
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    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A Highly Sensitive Acetone and Ethanol Quantum Cascade Laser Based Photoacoustic Sensor: Characterization and Multi-Component Spectra Recording in Synthetic Breath</title>
    <abstract language="eng">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 8260 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.</abstract>
    <parentTitle language="eng">SSRN Electronic Journal</parentTitle>
    <identifier type="doi">10.2139/ssrn.4305376</identifier>
    <enrichment key="CorrespondingAuthor">Jonas Pangerl</enrichment>
    <licence>Keine Lizenz - Es gilt das deutsche Urheberrecht: § 53 UrhG</licence>
    <author>Jonas Pangerl</author>
    <author>Elisabeth Moser</author>
    <author>Max Müller</author>
    <author>Stefan Weigl</author>
    <author>Simon Jobst</author>
    <author>Thomas Rück</author>
    <author>Rudolf Bierl</author>
    <author>Frank-Michael Matysik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photoacoustic spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>quantum cascade laser</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>spectral simulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>breath analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>acetone</value>
    </subject>
    <collection role="institutes" number="FakANK">Fakultät Angewandte Natur- und Kulturwissenschaften</collection>
    <collection role="persons" number="bierlsappz">Bierl, Rudolf (Prof. Dr.) - Sensorik-ApplikationsZentrum</collection>
    <collection role="othforschungsschwerpunkt" number="16317">Sensorik</collection>
    <collection role="institutes" number="">Sensorik-Applikationszentrum (SappZ)</collection>
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