<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>25702</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>57</pageFirst>
    <pageLast>74</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>218</volume>
    <type>articler</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2020-05-19</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A comprehensive kinetic model for dimethyl ether and dimethoxymethane oxidation and NOx interaction utilizing experimental laminar flame speed measurements at elevated pressure and temperature</title>
    <abstract language="eng">Laminar flame speeds of dimethyl ether and dimethoxymethane at pressures from 1 to 5 bar and initial temperatures from 298 to 373 K were determined experimentally using a constant volume spherical vessel and a heat flux burner setup. This study is the first to report dimethoxymethane laminar flame speeds at a pressure higher than 1 bar. Using these experimental data along with data available in the literature, a new kinetic model for the prediction of the oxidation behavior of dimethyl ether and dimethoxymethane in freely propagating and burner stabilized premixed flames, in shock tubes, rapid compression machines, flow reactors, and a jet-stirred reactor has been developed. The experimental results from the present work and literature are interpreted with the help of the derived kinetic model. This newly developed reaction mechanism considers the redox chemistry of NOx to accommodate the influence of the oxygen level on the onset of fuel conversion and interconversion of NO and NO2. The current model suggests that an increased O2 level promotes the HO2 production, which in turn leads to the formation of OH radicals, which promotes the combustion of the fuel/air mixture under lean conditions. The increase of OH radical concentrations is mainly via the NO/NO2 interconversion reaction channel, NO+HO2=NO2+OH, NO2+H=NO+OH, CH3OCH3+NO2=CH3OCH2+HONO, followed by the thermal decomposition of HONO. This work extends the kinetic database and helps to improve the understanding of dimethyl ether and dimethoxymethane combustion behavior. The kinetic model presented in this work can serve as a base model for hydrocarbons and oxygenated fuels higher than C2.</abstract>
    <parentTitle language="eng">Combustion and Flame</parentTitle>
    <identifier type="doi">10.1016/j.combustflame.2020.04.016</identifier>
    <identifier type="issn">1556-2921</identifier>
    <enrichment key="BTU">an der BTU erstellt / created at BTU</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">false</enrichment>
    <enrichment key="Fprofil">1 Energiewende und Dekarbonisierung / Energy Transition and Decarbonisation</enrichment>
    <enrichment key="Fprofil">4 Künstliche Intelligenz und Sensorik / Artificial Intelligence and Sensor Technology</enrichment>
    <author>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </author>
    <submitter>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </submitter>
    <author>
      <firstName>Sven</firstName>
      <lastName>Eckart</lastName>
    </author>
    <author>
      <firstName>Ayman M.</firstName>
      <lastName>Elbaz</lastName>
    </author>
    <author>
      <firstName>Binod Raj</firstName>
      <lastName>Giri</lastName>
    </author>
    <author>
      <firstName>Chris</firstName>
      <lastName>Fritsche</lastName>
    </author>
    <author>
      <firstName>Lars</firstName>
      <lastName>Seidel</lastName>
    </author>
    <author>
      <firstName>William L.</firstName>
      <lastName>Roberts</lastName>
    </author>
    <author>
      <firstName>Hartmut</firstName>
      <lastName>Krause</lastName>
    </author>
    <author>
      <firstName>Fabian</firstName>
      <lastName>Mauß</lastName>
    </author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dimethyl ether</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dimethoxymethane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Laminar flame speed</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Kinetic modeling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NOx</value>
    </subject>
    <collection role="institutes" number="3207">FG Thermodynamik / Thermische Verfahrenstechnik</collection>
  </doc>
  <doc>
    <id>27818</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>14963</pageFirst>
    <pageLast>14983</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>35</volume>
    <type>articler</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2021-10-21</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Detailed Chemical Kinetic Study of Acetaldehyde Oxidation and Its Interaction with NOx</title>
    <abstract language="eng">This work entails a detailed modeling and experimental study for the oxidation kinetics of acetaldehyde (CH3CHO) and its interaction with NOx. The ignition behavior of CH3CHO/O2/Ar has been investigated in a shock tube over the temperature range of 1149 to 1542 K, with equivalence ratios of 0.5 and 1.0 and pressures near 1.2 bar. Absorbance−time profiles of acetaldehyde were recorded using a mid-IR laser during the autoignition measurements. A comprehensive kinetic model has been developed to quantitatively predict the oxidation of&#13;
acetaldehyde and its interaction with NOx. The kinetic model&#13;
has been validated using experimental data of this work and&#13;
available literature data from shock tube, plug flow, and jet-stirred&#13;
reactors, freely propagating, and burner-stabilized premixed flames. For better accuracy of the kinetic model, the thermochemistry of&#13;
14 important species in the acetaldehyde submechanism was calculated using ab initio methods. The heat of formation of these&#13;
species was computed using atomization and isodesmic reaction schemes. For the first time, this modeling study examines the effect&#13;
of NO on acetaldehyde oxidation behavior over a wide range of experimental conditions. In most cases, the proposed kinetic model&#13;
captures the experimental trends remarkably well. Interestingly, the doping of NO in CH3CHO did not perturb the NTC behavior of&#13;
CH3CHO in contrast to other fuels, such as n-heptane and dimethyl ether. However, for flow reactor conditions at 1 atm, doping&#13;
with 504 ppm of NO was found to promote the reactivity of acetaldehyde by lowering the onset temperature for CH3CHO oxidation&#13;
by ∼140 K. The hydroxyl radical is the main cause of this shift, which originates from the NO + HO2 = OH + NO2 reaction. Further&#13;
evolution of hydroxyl radicals occurs via the “NO−NO2” looping mechanism and expedites the reactivity of the system. This&#13;
experimental and modeling work sheds new light on acetaldehyde oxidation behavior and its interaction with NOx under&#13;
combustion-relevant conditions.</abstract>
    <parentTitle language="eng">Energy &amp; fuels</parentTitle>
    <identifier type="url">https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01948?ref=pdf</identifier>
    <identifier type="doi">10.1021/acs.energyfuels.1c01948</identifier>
    <identifier type="issn">1520-5029</identifier>
    <identifier type="issn">0887-0624</identifier>
    <enrichment key="BTU">an der BTU erstellt / created at BTU</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">false</enrichment>
    <enrichment key="Fprofil">1 Energiewende und Dekarbonisierung / Energy Transition and Decarbonisation</enrichment>
    <enrichment key="Fprofil">4 Künstliche Intelligenz und Sensorik / Artificial Intelligence and Sensor Technology</enrichment>
    <author>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </author>
    <submitter>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </submitter>
    <author>
      <firstName>Binod Raj</firstName>
      <lastName>Giri</lastName>
    </author>
    <author>
      <firstName>Mohammad</firstName>
      <lastName>Adil</lastName>
    </author>
    <author>
      <firstName>Lars</firstName>
      <lastName>Seidel</lastName>
    </author>
    <author>
      <firstName>Thomas</firstName>
      <lastName>Zeuch</lastName>
    </author>
    <author>
      <firstName>Aamir</firstName>
      <lastName>Farooq</lastName>
    </author>
    <author>
      <firstName>Fabian</firstName>
      <lastName>Mauß</lastName>
    </author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NOx</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Kinetic modeling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Acetaldehyde</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ignition delay time</value>
    </subject>
    <collection role="institutes" number="3207">FG Thermodynamik / Thermische Verfahrenstechnik</collection>
  </doc>
  <doc>
    <id>27845</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject_ref</type>
    <publisherName/>
    <publisherPlace>Neapel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2021-10-28</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A Kinetic Modeling Study for the Effect of NOx on Oxymethylene ethers (OMEn, n = 0 and 1) oxidation</title>
    <abstract language="eng">We present a detailed kinetic model for the oxidation of dimethyl ether (OME0) and dimethoxymethane (OME1) in presence of NOx. We further explored the effect of NOx chemistry on the oxidation kinetics of the two OMEs. Our kinetic model is validated against the recent flow reactor data from Zhang et al. (Combust. Flame. 224 (2021) 94– 107). The results indicated that NO doping severely alters the oxidation kinetics of both fuels. The onset temperature for total fuel consumption is significantly shifted to lower temperatures for both fuels, which is in line with the experimental observation. We found that the addition of NO significantly inhibited the NTC behaviour of dimethyl ether. This inhibiting effect appears to stem from the competition between CH3OCH2O2 radical consumption by NO directly and the isomerization/dissociation reactions of CH3OCH2O2. Unlike dimethyl ether, dimethoxymethane does not exhibit a strong NTC behavior, and NO addition completely inhibited its weak NTC behavior.</abstract>
    <parentTitle language="eng">10th European Combustion Meeting, Neapel</parentTitle>
    <identifier type="url">https://www.researchgate.net/publication/353620538_A_Kinetic_Modeling_Study_for_the_Effect_of_NOx_on_Oxymethylene_ethers_OMEn_n_0_and_1_oxidation</identifier>
    <enrichment key="BTU">an der BTU erstellt / created at BTU</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">false</enrichment>
    <enrichment key="Fprofil">1 Energiewende und Dekarbonisierung / Energy Transition and Decarbonisation</enrichment>
    <enrichment key="Fprofil">4 Künstliche Intelligenz und Sensorik / Artificial Intelligence and Sensor Technology</enrichment>
    <author>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </author>
    <submitter>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </submitter>
    <author>
      <firstName>Binod Raj</firstName>
      <lastName>Giri</lastName>
    </author>
    <author>
      <firstName>Lars</firstName>
      <lastName>Seidel</lastName>
    </author>
    <author>
      <firstName>Aamir</firstName>
      <lastName>Farooq</lastName>
    </author>
    <author>
      <firstName>Fabian</firstName>
      <lastName>Mauß</lastName>
    </author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DME</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DMM</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxymethylene ethers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NOx</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Kinetic Modeling</value>
    </subject>
    <collection role="institutes" number="3207">FG Thermodynamik / Thermische Verfahrenstechnik</collection>
  </doc>
  <doc>
    <id>28543</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber>18</pageNumber>
    <edition/>
    <issue/>
    <volume>10</volume>
    <type>articler</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2022-02-07</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A detailed chemical insights into the kinetics of diethyl ether enhancing ammonia combustion and the importance of NOx recycling mechanism</title>
    <abstract language="eng">In this work, we investigated the combustion characteristics of ammonia (NH3) by blending it with various proportions of diethyl ether (DEE). We measured laminar flame speed of various NH3/DEE blends (DEE, 10–40% by mole) using a constant volume spherical vessel at Ti = 298 K and Pi = 3 and 5 bar and Φ = 0.8–1.3. We developed a detailed kinetic model to describe the trends of the current and previously published experimental data. For the robustness of the model, we first developed a comprehensive diethyl ether kinetic mechanism to accurately characterize neat DEE oxidation behavior. We validated the kinetic model using a large pool of experimental data comprising shock tube, rapid compression machine, jet-stirred and flow reactors, freely propagating, and burner-stabilized premixed flames. The developed kinetic model performs remarkably in capturing the combustion behavior of pure DEE and NH3. Importantly, our model captures the experimental data of laminar flame speed and ignition delay times of various NH3/DEE blends over a wide range of conditions. We found that DEE is a promising candidate to promote the combustion characteristics of NH3. A small portion of DEE (10%) enhances the laminar flame speed of NH3 by a factor of 2 at Pi = 1 bar, Ti = 298 K, and Φ = 1.0. A further doubling of the DEE mole fraction to 20% did not enhance the laminar flame speed of NH3 with the same propensity. At low temperatures, adding 5% DEE in NH3 blend has significantly expedited the system reactivity by lowering the autoignition temperature. A further 5% increment of DEE (i.e., 10% DEE in NH3) lowers the autoignition temperature by ∼120 K to achieve the same ignition delay time. The “NOsingle bondNO2” looping mechanism predominantly drives such reactivity accelerating effect. Here, the reactions, NO + HO2 = NO2 + OH and NO2 + H = NO + OH, appear to enhance the reactive radical pool by generating OH radicals. We observed that the HNO path is favored more with increasing DEE content which eventually liberates NO. Other key reactions in “NOsingle bondNO2” looping mechanism are: CH3 + NO2 = CH3O + NO, CH3O2 + NO = CH3O + NO2, C2H5 + NO2 = C2H5O + NO, C2H5O2 + NO = C2H5O + NO2. In addition, CH3 + NH2(+M) = CH3NH2(+M) reaction is also one of the important cross-reactions which leads to the formation of HCN. Therefore, cross-reactions between the nitrogen and carbon family are crucial in accurately predicting autoignition timing. This work provides a detailed chemical insight into the NH3 and DEE interaction, which could be applied to other fuel blends of NH3. The kinetic model is also validated for several C1single bondC3 fuels including their interaction with NOx.</abstract>
    <parentTitle language="eng">Fuel Communications</parentTitle>
    <identifier type="doi">10.1016/j.jfueco.2022.100051</identifier>
    <identifier type="issn">2666-0520</identifier>
    <enrichment key="BTU">an der BTU erstellt / created at BTU</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="Artikelnummer">100051</enrichment>
    <enrichment key="Fprofil">1 Energiewende und Dekarbonisierung / Energy Transition and Decarbonisation</enrichment>
    <enrichment key="Fprofil">4 Künstliche Intelligenz und Sensorik / Artificial Intelligence and Sensor Technology</enrichment>
    <author>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </author>
    <submitter>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </submitter>
    <author>
      <firstName>Binod Raj</firstName>
      <lastName>Giri</lastName>
    </author>
    <author>
      <firstName>Ayman M.</firstName>
      <lastName>Elbaz</lastName>
    </author>
    <author>
      <firstName>Gani</firstName>
      <lastName>Issayev</lastName>
    </author>
    <author>
      <firstName>William L.</firstName>
      <lastName>Roberts</lastName>
    </author>
    <author>
      <firstName>Lars</firstName>
      <lastName>Seidel</lastName>
    </author>
    <author>
      <firstName>Fabian</firstName>
      <lastName>Mauß</lastName>
    </author>
    <author>
      <firstName>Aamir</firstName>
      <lastName>Farooq</lastName>
    </author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DEE</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ammonia</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Kinetic Model</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Laminar flame speed</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ignition delay time</value>
    </subject>
    <collection role="institutes" number="3207">FG Thermodynamik / Thermische Verfahrenstechnik</collection>
  </doc>
  <doc>
    <id>32894</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7744</pageFirst>
    <pageLast>7754</pageLast>
    <pageNumber/>
    <edition/>
    <issue>14</issue>
    <volume>36</volume>
    <type>articler</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2024-02-19</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Experimental and Kinetic Modeling Study of 1, 3-Dioxolane Oxidation and Comparison with Dimethoxymethane</title>
    <abstract language="eng">This work reports laminar flame speeds and ignition delay times of 1,3-dioxolane/O2/inert gases over a wide range of conditions. Laminar flame speeds were determined experimentally at pressures of 1 and 3 bar, the temperature of 300 K, and equivalence ratios ranging from 0.7 to 1.4 using a constant-volume spherical chamber, whereas ignition delay times were measured in a shock tube at a pressure of 1 bar, the temperature range of 1000–1265 K, and equivalence ratios of 0.5 and 1.0. A detailed kinetic model is developed to predict the oxidation of 1,3-dioxolane utilizing our new experimental data and published datasets on the oxidation of 1,3-dioxolane in freely propagating flames, autoignition in rapid compression machines and shock tubes, and speciation in a jet-stirred reactor. Model predictions are in reasonable agreement with the experimental data. Laminar flame speeds and ignition delay times of 1,3-dioxolane (cyclic ether) are compared with those of dimethoxymethane (acyclic ether). It is found that 1,3-dioxolane has a higher laminar flame speed than that of dimethoxymethane, which may be attributed to the formation of C2H4, C2H2, and the H atom from 1,3-dioxolane. On the contrary, ignition delay times of 1,3-dioxolane are longer than those of dimethoxymethane below 1000 K and shorter above 1000 K for the same dilution level. The reaction ȮCHO = CO2 + H is critical for accurately predicting 1,3-dioxolane oxidation, and it significantly influences model predictions under low-pressure conditions. The model developed in this work will serve as the base mechanism for higher cyclic and acyclic ethers.</abstract>
    <parentTitle language="eng">Energy &amp; Fuels</parentTitle>
    <identifier type="doi">10.1021/acs.energyfuels.2c01132</identifier>
    <identifier type="issn">1520-5029</identifier>
    <identifier type="issn">0887-0624</identifier>
    <enrichment key="BTU">an der BTU erstellt / created at BTU</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">false</enrichment>
    <enrichment key="Fprofil">1 Energiewende und Dekarbonisierung / Energy Transition and Decarbonisation</enrichment>
    <enrichment key="Fprofil">4 Künstliche Intelligenz und Sensorik / Artificial Intelligence and Sensor Technology</enrichment>
    <author>
      <firstName>Krishna Prasad</firstName>
      <lastName>Shrestha</lastName>
    </author>
    <submitter>
      <firstName>Yvonne</firstName>
      <lastName>Teetzen</lastName>
    </submitter>
    <author>
      <firstName>Ayman M.</firstName>
      <lastName>Elbaz</lastName>
    </author>
    <author>
      <firstName>Binod Raj</firstName>
      <lastName>Giri</lastName>
    </author>
    <author>
      <firstName>Omar Z.</firstName>
      <lastName>Arab</lastName>
    </author>
    <author>
      <firstName>Mohammad</firstName>
      <lastName>Adil</lastName>
    </author>
    <author>
      <firstName>Lars</firstName>
      <lastName>Seidel</lastName>
    </author>
    <author>
      <firstName>William L.</firstName>
      <lastName>Roberts</lastName>
    </author>
    <author>
      <firstName>Aamir</firstName>
      <lastName>Farooq</lastName>
    </author>
    <author>
      <firstName>Fabian</firstName>
      <lastName>Mauß</lastName>
    </author>
    <collection role="institutes" number="3207">FG Thermodynamik / Thermische Verfahrenstechnik</collection>
  </doc>
</export-example>
