Toluene & n-heptane experimental RCM and ST datasets

n-heptane_toluene/rcm-malliotakis-2019-50-50-phi-0.5-N2-10bar.yaml

@@ -0,0 +1,99 @@
+file-authors:
+  - name: Shenghui Qin
+file-version: 0
+chemked-version: 0.4.1
+
+reference:
+  authors:
+  - name: Zisis Malliotakis
+  - name: Colin Banyon
+  - name: Kuiwen Zhang
+  - name: Scott Wagnon
+  detail: Experimental data captured from figures in literature
+  doi: https://doi.org/10.1016/j.combustflame.2018.10.024
+  journal: Combustion and Flame
+  pages: 241-248
+  volume: 199
+  year: 2019
+experiment-type: ignition delay
+apparatus:
+  facility: NUIG RCM & HPST
+  institution: National Technical University of Athens
+  kind: rapid compression machine
+
+
+common-properties:
+  composition: &id001
+    kind: mole fraction
+    species:
+    - InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
+      amount:
+      - 0.010644203
+      species-name: Heptane
+    - InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
+      amount:
+      - 0.009793735
+      species-name: Toluene
+    - InChI: 1S/O2/c1-2
+      amount:
+      - 0.205229847
+      species-name: O2
+    - InChI: 1S/N2/c1-2
+      amount:
+      - 0.774332215
+      species-name: N2
+  ignition-type: &id002
+    target:  pressure
+    type:  d/dt max
+datapoints:
+
+- composition: *id001
+  ignition-delay:
+  - 4.7210 ms
+  ignition-type: *id002
+  pressure:
+  - 11.85 atm
+  temperature:
+  - 791.939 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.1838 ms
+  ignition-type: *id002
+  pressure:
+  - 11.54 atm
+  temperature:
+  - 770.998 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.7536 ms
+  ignition-type: *id002
+  pressure:
+  - 11.22 atm
+  temperature:
+  - 749.615 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.1280 ms
+  ignition-type: *id002
+  pressure:
+  - 10.92 atm
+  temperature:
+  - 729.344 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.9314 ms
+  ignition-type: *id002
+  pressure:
+  - 10.78 atm
+  temperature:
+  - 720.363 K
+  equivalence-ratio: 1.0
+

n-heptane_toluene/rcm-malliotakis-2019-50-50-phi-0.5-N2-30bar.yaml

@@ -0,0 +1,99 @@
+file-authors:
+  - name: Shenghui Qin
+file-version: 0
+chemked-version: 0.4.1
+
+reference:
+  authors:
+  - name: Zisis Malliotakis
+  - name: Colin Banyon
+  - name: Kuiwen Zhang
+  - name: Scott Wagnon
+  detail: Experimental data captured from figures in literature
+  doi: https://doi.org/10.1016/j.combustflame.2018.10.024
+  journal: Combustion and Flame
+  pages: 241-248
+  volume: 199
+  year: 2019
+experiment-type: ignition delay
+apparatus:
+  facility: NUIG RCM & HPST
+  institution: National Technical University of Athens
+  kind: rapid compression machine
+
+
+common-properties:
+  composition: &id001
+    kind: mole fraction
+    species:
+    - InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
+      amount:
+      - 0.010644203
+      species-name: Heptane
+    - InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
+      amount:
+      - 0.009793735
+      species-name: Toluene
+    - InChI: 1S/O2/c1-2
+      amount:
+      - 0.205229847
+      species-name: O2
+    - InChI: 1S/N2/c1-2
+      amount:
+      - 0.774332215
+      species-name: N2
+  ignition-type: &id002
+    target:  pressure
+    type:  d/dt max
+datapoints:
+
+- composition: *id001
+  ignition-delay:
+  - 4.7210 ms
+  ignition-type: *id002
+  pressure:
+  - 11.85 atm
+  temperature:
+  - 791.939 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.1838 ms
+  ignition-type: *id002
+  pressure:
+  - 11.54 atm
+  temperature:
+  - 770.998 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.7536 ms
+  ignition-type: *id002
+  pressure:
+  - 11.22 atm
+  temperature:
+  - 749.615 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.1280 ms
+  ignition-type: *id002
+  pressure:
+  - 10.92 atm
+  temperature:
+  - 729.344 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.9314 ms
+  ignition-type: *id002
+  pressure:
+  - 10.78 atm
+  temperature:
+  - 720.363 K
+  equivalence-ratio: 1.0
+

n-heptane_toluene/rcm-malliotakis-2019-50-50-phi-0.5-N2-Ar-10bar.yaml

@@ -0,0 +1,99 @@
+file-authors:
+  - name: Shenghui Qin
+file-version: 0
+chemked-version: 0.4.1
+
+reference:
+  authors:
+  - name: Zisis Malliotakis
+  - name: Colin Banyon
+  - name: Kuiwen Zhang
+  - name: Scott Wagnon
+  detail: Experimental data captured from figures in literature
+  doi: https://doi.org/10.1016/j.combustflame.2018.10.024
+  journal: Combustion and Flame
+  pages: 241-248
+  volume: 199
+  year: 2019
+experiment-type: ignition delay
+apparatus:
+  facility: NUIG RCM & HPST
+  institution: National Technical University of Athens
+  kind: rapid compression machine
+
+
+common-properties:
+  composition: &id001
+    kind: mole fraction
+    species:
+    - InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
+      amount:
+      - 0.010644203
+      species-name: Heptane
+    - InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
+      amount:
+      - 0.009793735
+      species-name: Toluene
+    - InChI: 1S/O2/c1-2
+      amount:
+      - 0.205229847
+      species-name: O2
+    - InChI: 1S/N2/c1-2
+      amount:
+      - 0.774332215
+      species-name: N2
+  ignition-type: &id002
+    target:  pressure
+    type:  d/dt max
+datapoints:
+
+- composition: *id001
+  ignition-delay:
+  - 4.7210 ms
+  ignition-type: *id002
+  pressure:
+  - 11.85 atm
+  temperature:
+  - 791.939 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.1838 ms
+  ignition-type: *id002
+  pressure:
+  - 11.54 atm
+  temperature:
+  - 770.998 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.7536 ms
+  ignition-type: *id002
+  pressure:
+  - 11.22 atm
+  temperature:
+  - 749.615 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.1280 ms
+  ignition-type: *id002
+  pressure:
+  - 10.92 atm
+  temperature:
+  - 729.344 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.9314 ms
+  ignition-type: *id002
+  pressure:
+  - 10.78 atm
+  temperature:
+  - 720.363 K
+  equivalence-ratio: 1.0
+

n-heptane_toluene/rcm-malliotakis-2019-50-50-phi-1-N2-10bar.yaml

@@ -0,0 +1,99 @@
+file-authors:
+  - name: Shenghui Qin
+file-version: 0
+chemked-version: 0.4.1
+
+reference:
+  authors:
+  - name: Zisis Malliotakis
+  - name: Colin Banyon
+  - name: Kuiwen Zhang
+  - name: Scott Wagnon
+  detail: Experimental data captured from figures in literature
+  doi: https://doi.org/10.1016/j.combustflame.2018.10.024
+  journal: Combustion and Flame
+  pages: 241-248
+  volume: 199
+  year: 2019
+experiment-type: ignition delay
+apparatus:
+  facility: NUIG RCM & HPST
+  institution: National Technical University of Athens
+  kind: rapid compression machine
+
+
+common-properties:
+  composition: &id001
+    kind: mole fraction
+    species:
+    - InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
+      amount:
+      - 0.010644203
+      species-name: Heptane
+    - InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
+      amount:
+      - 0.009793735
+      species-name: Toluene
+    - InChI: 1S/O2/c1-2
+      amount:
+      - 0.205229847
+      species-name: O2
+    - InChI: 1S/N2/c1-2
+      amount:
+      - 0.774332215
+      species-name: N2
+  ignition-type: &id002
+    target:  pressure
+    type:  d/dt max
+datapoints:
+
+- composition: *id001
+  ignition-delay:
+  - 4.7210 ms
+  ignition-type: *id002
+  pressure:
+  - 11.85 atm
+  temperature:
+  - 791.939 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.1838 ms
+  ignition-type: *id002
+  pressure:
+  - 11.54 atm
+  temperature:
+  - 770.998 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 7.7536 ms
+  ignition-type: *id002
+  pressure:
+  - 11.22 atm
+  temperature:
+  - 749.615 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.1280 ms
+  ignition-type: *id002
+  pressure:
+  - 10.92 atm
+  temperature:
+  - 729.344 K
+  equivalence-ratio: 1.0
+
+- composition: *id001
+  ignition-delay:
+  - 10.9314 ms
+  ignition-type: *id002
+  pressure:
+  - 10.78 atm
+  temperature:
+  - 720.363 K
+  equivalence-ratio: 1.0
+