diff --git a/methane/Zhoa_2024_Methane_phi_0.05.yml b/methane/Zhoa_2024_Methane_phi_0.05.yml new file mode 100644 index 000000000..f73c6c764 --- /dev/null +++ b/methane/Zhoa_2024_Methane_phi_0.05.yml @@ -0,0 +1,154 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: 0009-0007-4064-7836 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.heliyon.2024.e34204 + authors: + - name: Ziwen Zhao + - name: Yeteng Wang + - name: Jinchao Zhang + - name: Junhu Liang + - name: Yang Zhang + - name: Fengqi Zhao + - name: Quan-De Wang + journal: Heliyon - A Cell Press journal + year: 2024 + volume: 10 + pages: e34204 + detail: This is an experimental and kinetic simulation study on the autoignition of methane at ultra-lean and lean conditions relevant to coalbed methane utilization. +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: School of Environmental and Safety Engineering, North University of China, Taiyuan, PR China +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: methane + InChI: 1S/CH4/h1H4 + amount: + - 0.00522 + - species-name: oxygen + InChI: 1S/O2/c1-2 + amount: + - 0.2089 + - species-name: nitrogen + InChI: 1S/N2/c1-2 + amount: + - 0.78588 + ignition-type: &ign + target: pressure; OH* + type: d/dt max +datapoints: + - temperature: + - 1356.1 kelvin + ignition-delay: + - 760 us + pressure: + - 10.111 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1403.5 kelvin + ignition-delay: + - 444 us + pressure: + - 10.045 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1442 kelvin + ignition-delay: + - 304 us + pressure: + - 10.562 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1477.2 kelvin + ignition-delay: + - 254 us + pressure: + - 9.96 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1546.8 kelvin + ignition-delay: + - 158 us + pressure: + - 10.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1621.1 kelvin + ignition-delay: + - 97 us + pressure: + - 10.237 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1682.2 kelvin + ignition-delay: + - 72 us + pressure: + - 10.22 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1755.6 kelvin + ignition-delay: + - 53 us + pressure: + - 10.055 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1601 kelvin + ignition-delay: + - 220 us + pressure: + - 1.959 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1691 kelvin + ignition-delay: + - 153 us + pressure: + - 1.981 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1759.7 kelvin + ignition-delay: + - 112 us + pressure: + - 2.019 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1842.1 kelvin + ignition-delay: + - 71 us + pressure: + - 1.986 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 +.... diff --git a/methane/Zhoa_2024_Methane_phi_0.5.yml b/methane/Zhoa_2024_Methane_phi_0.5.yml new file mode 100644 index 000000000..edbd80ad7 --- /dev/null +++ b/methane/Zhoa_2024_Methane_phi_0.5.yml @@ -0,0 +1,208 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: 0009-0007-4064-7836 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.heliyon.2024.e34204 + authors: + - name: Ziwen Zhao + - name: Yeteng Wang + - name: Jinchao Zhang + - name: Junhu Liang + - name: Yang Zhang + - name: Fengqi Zhao + - name: Quan-De Wang + journal: Heliyon - A Cell Press journal + year: 2024 + volume: 10 + pages: e34204 + detail: This is an experimental and kinetic simulation study on the autoignition of methane at ultra-lean and lean conditions relevant to coalbed methane utilization. +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: School of Environmental and Safety Engineering, North University of China, Taiyuan, PR China +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: methane + InChI: 1S/CH4/h1H4 + amount: + - 0.05 + - species-name: oxygen + InChI: 1S/O2/c1-2 + amount: + - 0.2 + - species-name: nitrogen + InChI: 1S/N2/c1-2 + amount: + - 0.75 + ignition-type: &ign + target: Pressure + type: d/dt max +datapoints: + - temperature: + - 1340.7 kelvin + ignition-delay: + - 1109 us + pressure: + - 9.718 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1381.5 kelvin + ignition-delay: + - 743 us + pressure: + - 9.748 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1430.4 kelvin + ignition-delay: + - 488 us + pressure: + - 10.028 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1472.1 kelvin + ignition-delay: + - 360 us + pressure: + - 9.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1488.8 kelvin + ignition-delay: + - 310 us + pressure: + - 9.86 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1534.5 kelvin + ignition-delay: + - 203 us + pressure: + - 9.813 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1578.5 kelvin + ignition-delay: + - 145 us + pressure: + - 10.34 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1630.7 kelvin + ignition-delay: + - 104 us + pressure: + - 10.35 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1712.1 kelvin + ignition-delay: + - 66 us + pressure: + - 10.13 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1734.9 kelvin + ignition-delay: + - 58 us + pressure: + - 9.74 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1395.9 kelvin + ignition-delay: + - 1800 us + pressure: + - 1.989 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1467.2 kelvin + ignition-delay: + - 920 us + pressure: + - 1.919 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1543.2 kelvin + ignition-delay: + - 596 us + pressure: + - 1.984 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1601.1 kelvin + ignition-delay: + - 398 us + pressure: + - 2.002 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1699.9 kelvin + ignition-delay: + - 249 us + pressure: + - 2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +- temperature: + - 1774.3 kelvin + ignition-delay: + - 162 us + pressure: + - 1.949 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1853.3 kelvin + ignition-delay: + - 117 us + pressure: + - 1.981 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1904.8 kelvin + ignition-delay: + - 100 us + pressure: + - 2.009 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +... diff --git a/methane/Zhoa_2024_Methane_phi_1.0.yml b/methane/Zhoa_2024_Methane_phi_1.0.yml new file mode 100644 index 000000000..49c635da5 --- /dev/null +++ b/methane/Zhoa_2024_Methane_phi_1.0.yml @@ -0,0 +1,199 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: 0009-0007-4064-7836 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.heliyon.2024.e34204 + authors: + - name: Ziwen Zhao + - name: Yeteng Wang + - name: Jinchao Zhang + - name: Junhu Liang + - name: Yang Zhang + - name: Fengqi Zhao + - name: Quan-De Wang + journal: Heliyon - A Cell Press journal + year: 2024 + volume: 10 + pages: e34204 + detail: This is an experimental and kinetic simulation study on the autoignition of methane at ultra-lean and lean conditions relevant to coalbed methane utilization. +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: School of Environmental and Safety Engineering, North University of China, Taiyuan, PR China +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: methane + InChI: 1S/CH4/h1H4 + amount: + - 0.01039 + - species-name: oxygen + InChI: 1S/O2/c1-2 + amount: + - 0.20782 + - species-name: nitrogen + InChI: 1S/N2/c1-2 + amount: + - 0.78179 + ignition-type: &ign + target: Pressure + type: d/dt max +datapoints: + - temperature: + - 1331.4 kelvin + ignition-delay: + - 962 us + pressure: + - 10.519 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1355.7 kelvin + ignition-delay: + - 647 us + pressure: + - 10.078 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1382.1 kelvin + ignition-delay: + - 530 us + pressure: + - 9.759 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1447.9 kelvin + ignition-delay: + - 330 us + pressure: + - 9.724 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1521.4 kelvin + ignition-delay: + - 180 us + pressure: + - 10.262 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1558.8 kelvin + ignition-delay: + - 143 us + pressure: + - 10.102 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1613.9 kelvin + ignition-delay: + - 105 us + pressure: + - 10.155 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1664.3 kelvin + ignition-delay: + - 85 us + pressure: + - 10.728 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1696.6 kelvin + ignition-delay: + - 72 us + pressure: + - 9.964 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1393.1 kelvin + ignition-delay: + - 919 us + pressure: + - 1.982 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1439.7 kelvin + ignition-delay: + - 670 us + pressure: + - 1.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1515.6 kelvin + ignition-delay: + - 40 us + pressure: + - 2.011 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1565.8 kelvin + ignition-delay: + - 265 us + pressure: + - 2.038 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1620.8 kelvin + ignition-delay: + - 187 us + pressure: + - 2.048 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1645.1 kelvin + ignition-delay: + - 167 us + pressure: + - 1.888 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 +- temperature: + - 1753.5 kelvin + ignition-delay: + - 104 us + pressure: + - 2.048 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1824.5 kelvin + ignition-delay: + - 70 us + pressure: + - 1.954 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 +...