From ab5651aa1f6ac08254d260e667568fde2ec12b7c Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 6 Mar 2026 14:34:34 -0800 Subject: [PATCH 01/12] Create test --- methane/test | 1 + 1 file changed, 1 insertion(+) create mode 100644 methane/test diff --git a/methane/test b/methane/test new file mode 100644 index 000000000..8b1378917 --- /dev/null +++ b/methane/test @@ -0,0 +1 @@ + From e57da9e2f96fd9c7e068b2d4760727d67c2c7f0c Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 6 Mar 2026 15:12:13 -0800 Subject: [PATCH 02/12] Add files via upload --- methane/Methane.txt | 211 ++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 211 insertions(+) create mode 100644 methane/Methane.txt diff --git a/methane/Methane.txt b/methane/Methane.txt new file mode 100644 index 000000000..a38e39061 --- /dev/null +++ b/methane/Methane.txt @@ -0,0 +1,211 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: +file-version: +chemked-version: +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 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1381.5 kelvin + ignition-delay: + - 743 us + pressure: + - 9.748 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1430.4 kelvin + ignition-delay: + - 488 us + pressure: + - 10.028 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1472.1 kelvin + ignition-delay: + - 360 us + pressure: + - 9.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1488.8 kelvin + ignition-delay: + - 310 us + pressure: + - 9.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1534.5 kelvin + ignition-delay: + - 203 us + pressure: + - 9.813 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1578.5 kelvin + ignition-delay: + - 145 us + pressure: + - 10.34 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1630.7 kelvin + ignition-delay: + - 104 us + pressure: + - 10.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1712.1 kelvin + ignition-delay: + - 66 us + pressure: + - 10.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1734.9 kelvin + ignition-delay: + - 58 us + pressure: + - 9.74 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1395.9 kelvin + ignition-delay: + - 1800 us + pressure: + - 1.989 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1467.2 kelvin + ignition-delay: + - 920 us + pressure: + - 1.919 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1543.2 kelvin + ignition-delay: + - 596 us + pressure: + - 1.984 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1601.1 kelvin + ignition-delay: + - 398 us + pressure: + - 2.002 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1699.9 kelvin + ignition-delay: + - 249 us + pressure: + - 2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +- temperature: + - 1774.3 kelvin + ignition-delay: + - 162 us + pressure: + - 1.949 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1853.3 kelvin + ignition-delay: + - 117 us + pressure: + - 1.981 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1904.8 kelvin + ignition-delay: + - 100 us + pressure: + - 2.009 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +... + + + From 5ca3ba8c8d0670a385ba4b90868126c1266cae25 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 6 Mar 2026 16:08:46 -0800 Subject: [PATCH 03/12] Add files via upload Methane (1) file: equivalence-ratio: 0.5 Methane (1.0) file: equivalence-ratio: 1.0 Methane (0.05) file: equivalence-ratio: 0.05 --- methane/Methane (0.05) | 154 +++++++++++++++++++++++++++++ methane/Methane (1).txt | 211 ++++++++++++++++++++++++++++++++++++++++ methane/Methane (1.0) | 201 ++++++++++++++++++++++++++++++++++++++ 3 files changed, 566 insertions(+) create mode 100644 methane/Methane (0.05) create mode 100644 methane/Methane (1).txt create mode 100644 methane/Methane (1.0) diff --git a/methane/Methane (0.05) b/methane/Methane (0.05) new file mode 100644 index 000000000..fceec6778 --- /dev/null +++ b/methane/Methane (0.05) @@ -0,0 +1,154 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: +file-version: +chemked-version: +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: OH* + type: d/dt max +datapoints: + - temperature: + -1356.1 kelvin + ignition-delay: + - 760 us + pressure: + - 10.111 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1403.5 kelvin + ignition-delay: + - 444 us + pressure: + - 10.045 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1442 kelvin + ignition-delay: + - 304 us + pressure: + - 10.562 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1477.2 kelvin + ignition-delay: + - 254 us + pressure: + - 9.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1546.8 kelvin + ignition-delay: + - 158 us + pressure: + - 10.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1621.1 kelvin + ignition-delay: + - 97 us + pressure: + - 10.237 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1682.2 kelvin + ignition-delay: + - 72 us + pressure: + - 10.22 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1755.6 kelvin + ignition-delay: + - 53 us + pressure: + - 10.055 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1601 kelvin + ignition-delay: + - 220 us + pressure: + - 1.959 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1691 kelvin + ignition-delay: + - 153 us + pressure: + - 1.981 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1759.7 kelvin + ignition-delay: + - 112 us + pressure: + - 2.019 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 + - temperature: + - 1842.1 kelvin + ignition-delay: + - 71 us + pressure: + - 1.986 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.05 +.... diff --git a/methane/Methane (1).txt b/methane/Methane (1).txt new file mode 100644 index 000000000..57f7c75e6 --- /dev/null +++ b/methane/Methane (1).txt @@ -0,0 +1,211 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: +file-version: +chemked-version: +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 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1381.5 kelvin + ignition-delay: + - 743 us + pressure: + - 9.748 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1430.4 kelvin + ignition-delay: + - 488 us + pressure: + - 10.028 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1472.1 kelvin + ignition-delay: + - 360 us + pressure: + - 9.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1488.8 kelvin + ignition-delay: + - 310 us + pressure: + - 9.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1534.5 kelvin + ignition-delay: + - 203 us + pressure: + - 9.813 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1578.5 kelvin + ignition-delay: + - 145 us + pressure: + - 10.34 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1630.7 kelvin + ignition-delay: + - 104 us + pressure: + - 10.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1712.1 kelvin + ignition-delay: + - 66 us + pressure: + - 10.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1734.9 kelvin + ignition-delay: + - 58 us + pressure: + - 9.74 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1395.9 kelvin + ignition-delay: + - 1800 us + pressure: + - 1.989 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1467.2 kelvin + ignition-delay: + - 920 us + pressure: + - 1.919 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1543.2 kelvin + ignition-delay: + - 596 us + pressure: + - 1.984 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1601.1 kelvin + ignition-delay: + - 398 us + pressure: + - 2.002 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1699.9 kelvin + ignition-delay: + - 249 us + pressure: + - 2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +- temperature: + - 1774.3 kelvin + ignition-delay: + - 162 us + pressure: + - 1.949 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1853.3 kelvin + ignition-delay: + - 117 us + pressure: + - 1.981 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1904.8 kelvin + ignition-delay: + - 100 us + pressure: + - 2.009 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 +... + + + diff --git a/methane/Methane (1.0) b/methane/Methane (1.0) new file mode 100644 index 000000000..77b43900a --- /dev/null +++ b/methane/Methane (1.0) @@ -0,0 +1,201 @@ +--- +file-authors: + - name: Ivette Alonso Garcia + ORCID: +file-version: +chemked-version: +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 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1355.7 kelvin + ignition-delay: + - 647 us + pressure: + - 10.078 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1382.1 kelvin + ignition-delay: + - 530 us + pressure: + - 9.759 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1447.9 kelvin + ignition-delay: + - 330 us + pressure: + - 9.724 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1521.4 kelvin + ignition-delay: + - 180 us + pressure: + - 10.262 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1558.8 kelvin + ignition-delay: + - 143 us + pressure: + - 10.102 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1613.9 kelvin + ignition-delay: + - 105 us + pressure: + - 10.155 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1664.3 kelvin + ignition-delay: + - 85 us + pressure: + - 10.728 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1696.6 kelvin + ignition-delay: + - 72 us + pressure: + - 9.964 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1393.1 kelvin + ignition-delay: + - 919 us + pressure: + - 1.982 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1439.7 kelvin + ignition-delay: + - 670 us + pressure: + - 1.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1515.6 kelvin + ignition-delay: + - 40 us + pressure: + - 2.011 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1565.8 kelvin + ignition-delay: + - 265 us + pressure: + - 2.038 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1620.8 kelvin + ignition-delay: + - 187 us + pressure: + - 2.048 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1645.1 kelvin + ignition-delay: + - 167 us + pressure: + - 1.888 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 +- temperature: + - 1753.5 kelvin + ignition-delay: + - 104 us + pressure: + - 2.048 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1824.5 kelvin + ignition-delay: + - 70 us + pressure: + - 1.954 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 +... + + From a59aa49117669216fb4e9de18efa87b9063d5c9a Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 6 Mar 2026 16:11:33 -0800 Subject: [PATCH 04/12] Delete methane/Methane.txt File with incorrect data --- methane/Methane.txt | 211 -------------------------------------------- 1 file changed, 211 deletions(-) delete mode 100644 methane/Methane.txt diff --git a/methane/Methane.txt b/methane/Methane.txt deleted file mode 100644 index a38e39061..000000000 --- a/methane/Methane.txt +++ /dev/null @@ -1,211 +0,0 @@ ---- -file-authors: - - name: Ivette Alonso Garcia - ORCID: -file-version: -chemked-version: -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 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1381.5 kelvin - ignition-delay: - - 743 us - pressure: - - 9.748 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1430.4 kelvin - ignition-delay: - - 488 us - pressure: - - 10.028 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1472.1 kelvin - ignition-delay: - - 360 us - pressure: - - 9.9 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1488.8 kelvin - ignition-delay: - - 310 us - pressure: - - 9.86 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1534.5 kelvin - ignition-delay: - - 203 us - pressure: - - 9.813 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1578.5 kelvin - ignition-delay: - - 145 us - pressure: - - 10.34 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1630.7 kelvin - ignition-delay: - - 104 us - pressure: - - 10.35 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1712.1 kelvin - ignition-delay: - - 66 us - pressure: - - 10.13 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1734.9 kelvin - ignition-delay: - - 58 us - pressure: - - 9.74 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1395.9 kelvin - ignition-delay: - - 1800 us - pressure: - - 1.989 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1467.2 kelvin - ignition-delay: - - 920 us - pressure: - - 1.919 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1543.2 kelvin - ignition-delay: - - 596 us - pressure: - - 1.984 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1601.1 kelvin - ignition-delay: - - 398 us - pressure: - - 2.002 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1699.9 kelvin - ignition-delay: - - 249 us - pressure: - - 2 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 -- temperature: - - 1774.3 kelvin - ignition-delay: - - 162 us - pressure: - - 1.949 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1853.3 kelvin - ignition-delay: - - 117 us - pressure: - - 1.981 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1904.8 kelvin - ignition-delay: - - 100 us - pressure: - - 2.009 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 -... - - - From 395de24ba784e5dbedc794f47a200d4329049de8 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:47:08 -0700 Subject: [PATCH 05/12] Delete methane/test --- methane/test | 1 - 1 file changed, 1 deletion(-) delete mode 100644 methane/test diff --git a/methane/test b/methane/test deleted file mode 100644 index 8b1378917..000000000 --- a/methane/test +++ /dev/null @@ -1 +0,0 @@ - From 92b137550a0d9cc10d04127adf4dc04ad6fb1cdd Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:47:53 -0700 Subject: [PATCH 06/12] Delete methane/Methane (1.0) --- methane/Methane (1.0) | 201 ------------------------------------------ 1 file changed, 201 deletions(-) delete mode 100644 methane/Methane (1.0) diff --git a/methane/Methane (1.0) b/methane/Methane (1.0) deleted file mode 100644 index 77b43900a..000000000 --- a/methane/Methane (1.0) +++ /dev/null @@ -1,201 +0,0 @@ ---- -file-authors: - - name: Ivette Alonso Garcia - ORCID: -file-version: -chemked-version: -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 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1355.7 kelvin - ignition-delay: - - 647 us - pressure: - - 10.078 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1382.1 kelvin - ignition-delay: - - 530 us - pressure: - - 9.759 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1447.9 kelvin - ignition-delay: - - 330 us - pressure: - - 9.724 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1521.4 kelvin - ignition-delay: - - 180 us - pressure: - - 10.262 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1558.8 kelvin - ignition-delay: - - 143 us - pressure: - - 10.102 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1613.9 kelvin - ignition-delay: - - 105 us - pressure: - - 10.155 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1664.3 kelvin - ignition-delay: - - 85 us - pressure: - - 10.728 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1696.6 kelvin - ignition-delay: - - 72 us - pressure: - - 9.964 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1393.1 kelvin - ignition-delay: - - 919 us - pressure: - - 1.982 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1439.7 kelvin - ignition-delay: - - 670 us - pressure: - - 1.99 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1515.6 kelvin - ignition-delay: - - 40 us - pressure: - - 2.011 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1565.8 kelvin - ignition-delay: - - 265 us - pressure: - - 2.038 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1620.8 kelvin - ignition-delay: - - 187 us - pressure: - - 2.048 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1645.1 kelvin - ignition-delay: - - 167 us - pressure: - - 1.888 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 -- temperature: - - 1753.5 kelvin - ignition-delay: - - 104 us - pressure: - - 2.048 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 - - temperature: - - 1824.5 kelvin - ignition-delay: - - 70 us - pressure: - - 1.954 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 1.0 -... - - From 6f29b98b4b44fbd3e5524a209fdfc9c58dda9517 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:48:37 -0700 Subject: [PATCH 07/12] Add files via upload --- methane/Zhoa_2024_Methane_phi_0.05.yml | 154 +++++++++++++++++++++++++ 1 file changed, 154 insertions(+) create mode 100644 methane/Zhoa_2024_Methane_phi_0.05.yml 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..1cfeaa01b --- /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: +chemked-version: +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: 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 +.... From eee9781abaf58d87e8e89e7c191f3a63e1b6adb3 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:49:05 -0700 Subject: [PATCH 08/12] Delete methane/Methane (1).txt --- methane/Methane (1).txt | 211 ---------------------------------------- 1 file changed, 211 deletions(-) delete mode 100644 methane/Methane (1).txt diff --git a/methane/Methane (1).txt b/methane/Methane (1).txt deleted file mode 100644 index 57f7c75e6..000000000 --- a/methane/Methane (1).txt +++ /dev/null @@ -1,211 +0,0 @@ ---- -file-authors: - - name: Ivette Alonso Garcia - ORCID: -file-version: -chemked-version: -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 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1381.5 kelvin - ignition-delay: - - 743 us - pressure: - - 9.748 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1430.4 kelvin - ignition-delay: - - 488 us - pressure: - - 10.028 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1472.1 kelvin - ignition-delay: - - 360 us - pressure: - - 9.9 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1488.8 kelvin - ignition-delay: - - 310 us - pressure: - - 9.86 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1534.5 kelvin - ignition-delay: - - 203 us - pressure: - - 9.813 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1578.5 kelvin - ignition-delay: - - 145 us - pressure: - - 10.34 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1630.7 kelvin - ignition-delay: - - 104 us - pressure: - - 10.35 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1712.1 kelvin - ignition-delay: - - 66 us - pressure: - - 10.13 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1734.9 kelvin - ignition-delay: - - 58 us - pressure: - - 9.74 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1395.9 kelvin - ignition-delay: - - 1800 us - pressure: - - 1.989 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1467.2 kelvin - ignition-delay: - - 920 us - pressure: - - 1.919 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1543.2 kelvin - ignition-delay: - - 596 us - pressure: - - 1.984 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1601.1 kelvin - ignition-delay: - - 398 us - pressure: - - 2.002 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1699.9 kelvin - ignition-delay: - - 249 us - pressure: - - 2 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 -- temperature: - - 1774.3 kelvin - ignition-delay: - - 162 us - pressure: - - 1.949 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1853.3 kelvin - ignition-delay: - - 117 us - pressure: - - 1.981 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 - - temperature: - - 1904.8 kelvin - ignition-delay: - - 100 us - pressure: - - 2.009 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.5 -... - - - From e6a7a0f6c90477ed5fb4cdd51d6fa02ad0d19e62 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:49:23 -0700 Subject: [PATCH 09/12] Delete methane/Methane (0.05) --- methane/Methane (0.05) | 154 ----------------------------------------- 1 file changed, 154 deletions(-) delete mode 100644 methane/Methane (0.05) diff --git a/methane/Methane (0.05) b/methane/Methane (0.05) deleted file mode 100644 index fceec6778..000000000 --- a/methane/Methane (0.05) +++ /dev/null @@ -1,154 +0,0 @@ ---- -file-authors: - - name: Ivette Alonso Garcia - ORCID: -file-version: -chemked-version: -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: OH* - type: d/dt max -datapoints: - - temperature: - -1356.1 kelvin - ignition-delay: - - 760 us - pressure: - - 10.111 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1403.5 kelvin - ignition-delay: - - 444 us - pressure: - - 10.045 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1442 kelvin - ignition-delay: - - 304 us - pressure: - - 10.562 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1477.2 kelvin - ignition-delay: - - 254 us - pressure: - - 9.96 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1546.8 kelvin - ignition-delay: - - 158 us - pressure: - - 10.08 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1621.1 kelvin - ignition-delay: - - 97 us - pressure: - - 10.237 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1682.2 kelvin - ignition-delay: - - 72 us - pressure: - - 10.22 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1755.6 kelvin - ignition-delay: - - 53 us - pressure: - - 10.055 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1601 kelvin - ignition-delay: - - 220 us - pressure: - - 1.959 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1691 kelvin - ignition-delay: - - 153 us - pressure: - - 1.981 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1759.7 kelvin - ignition-delay: - - 112 us - pressure: - - 2.019 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 - - temperature: - - 1842.1 kelvin - ignition-delay: - - 71 us - pressure: - - 1.986 atm - composition: *comp - ignition-type: *ign - equivalence-ratio: 0.05 -.... From 9def9d884b8432336d60d9e62a811b79df65f3fb Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:49:53 -0700 Subject: [PATCH 10/12] Add files via upload --- methane/Zhoa_2024_Methane_phi_0.5.yml | 208 ++++++++++++++++++++++++++ 1 file changed, 208 insertions(+) create mode 100644 methane/Zhoa_2024_Methane_phi_0.5.yml 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 +... From cf8baa8735bfc31c7d87f1223dd265486108f0f9 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 15:50:38 -0700 Subject: [PATCH 11/12] Add files via upload --- methane/Zhoa_2024_Methane_phi_1.0.yml | 199 ++++++++++++++++++++++++++ 1 file changed, 199 insertions(+) create mode 100644 methane/Zhoa_2024_Methane_phi_1.0.yml 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 +... From 5a6ba9430421e8a9f5e47290ee56582c009507c5 Mon Sep 17 00:00:00 2001 From: alonsogi Date: Fri, 3 Apr 2026 16:06:35 -0700 Subject: [PATCH 12/12] Zhoa_2024_Methane_phi_0.05.yml --- methane/Zhoa_2024_Methane_phi_0.05.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/methane/Zhoa_2024_Methane_phi_0.05.yml b/methane/Zhoa_2024_Methane_phi_0.05.yml index 1cfeaa01b..f73c6c764 100644 --- a/methane/Zhoa_2024_Methane_phi_0.05.yml +++ b/methane/Zhoa_2024_Methane_phi_0.05.yml @@ -2,8 +2,8 @@ file-authors: - name: Ivette Alonso Garcia ORCID: 0009-0007-4064-7836 -file-version: -chemked-version: +file-version: 0 +chemked-version: 0.4.1 reference: doi: 10.1016/j.heliyon.2024.e34204 authors: @@ -40,7 +40,7 @@ common-properties: amount: - 0.78588 ignition-type: &ign - target: OH* + target: pressure; OH* type: d/dt max datapoints: - temperature: