[transport] fixed unit test failure for transport_models_test, added …

…common species to crit database, and updated keywords file to prevent CI failure for new example
Cantera · Oct 24, 2024 · d0e2f75 · d0e2f75
1 parent 58c8b23
commit d0e2f75
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Showing 4 changed files with 26 additions and 15 deletions.
diff --git a/data/critical-properties.yaml b/data/critical-properties.yaml
@@ -6295,3 +6295,14 @@ species:
     source: |-
       The acentric factor is calculated using the pure fluid saturation data from
       Lemmon et al. (2022).
+- name: H2
+  descriptive-name: hydrogen
+  molecular-weight: 2.016
+  critical-parameters:
+    critical-temperature: 32.98
+    critical-pressure: 1.293e6
+    critical-molar-volume: 0.0642
+    critical-compressibility: 0.303
+    acentric-factor: -0.217
+    source: |-
+      Properties of Gases and Liquids, 5th edition, Poling.
diff --git a/doc/example-keywords.txt b/doc/example-keywords.txt
@@ -16,6 +16,7 @@ Fortran 77
 Fortran 90
 fuel cell
 heat transfer
+high-pressure
 ignition delay
 internal combustion engine
 jet-stirred reactor
@@ -40,9 +41,9 @@ reaction path analysis
 reactor network
 saving output
 sensitivity analysis
+shock tube
 strained flame
 surface chemistry
-shock tube
 thermodynamic cycle
 thermodynamics
 transport

diff --git a/test/data/transport_models_test.xml b/test/data/transport_models_test.xml
@@ -13,7 +13,7 @@
       <pressure units="Pa">2666.4473684210525</pressure>
       <moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
     </state>
-    <thermo model="RedlichKwong"/>
+    <thermo model="IdealGas"/>
     <kinetics model="GasKinetics"/>
     <transport model="UnityLewis"/>
   </phase>
@@ -28,7 +28,7 @@
       <pressure units="Pa">2666.4473684210525</pressure>
       <moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
     </state>
-    <thermo model="RedlichKwong"/>
+    <thermo model="IdealGas"/>
     <kinetics model="GasKinetics"/>
     <transport model="CK_Mix"/>
   </phase>
@@ -43,20 +43,20 @@
       <pressure units="Pa">2666.4473684210525</pressure>
       <moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
     </state>
-    <thermo model="RedlichKwong"/>
+    <thermo model="IdealGas"/>
     <kinetics model="GasKinetics"/>
     <transport model="CK_Multi"/>
   </phase>
   <phase id="HighP" dim="3">
-    <elementArray datasrc="elements.xml">H C</elementArray>
-    <speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
+    <elementArray datasrc="elements.xml">H C O</elementArray>
+    <speciesArray datasrc="gri30.xml#species_data">CO2 CH4</speciesArray>
     <reactionArray datasrc="gri30.xml#reaction_data">
       <skip species="undeclared" third_bodies="undeclared"/>
     </reactionArray>
     <state>
       <temperature units="K">1200.0</temperature>
       <pressure units="Pa">2666.4473684210525</pressure>
-      <moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
+      <moleFractions>CO2: 0.988, CH4: 0.012</moleFractions>
     </state>
     <thermo model="RedlichKwong"/>
     <kinetics model="GasKinetics"/>

diff --git a/test/data/transport_models_test.yaml b/test/data/transport_models_test.yaml
@@ -8,7 +8,7 @@ phases:
   elements: [H, C]
   species:
   - gri30.yaml/species: [H, H2, CH3, CH4]
-  thermo: Redlich-Kwong
+  thermo: ideal-gas
   transport: unity-Lewis-number
   skip-undeclared-third-bodies: true
   kinetics: gas
@@ -20,7 +20,7 @@ phases:
   elements: [H, C]
   species:
   - gri30.yaml/species: [H, H2, CH3, CH4]
-  thermo: Redlich-Kwong
+  thermo: ideal-gas
   transport: mixture-averaged-CK
   skip-undeclared-third-bodies: true
   kinetics: gas
@@ -32,7 +32,7 @@ phases:
   elements: [H, C]
   species:
   - gri30.yaml/species: [H, H2, CH3, CH4]
-  thermo: Redlich-Kwong
+  thermo: ideal-gas
   transport: multicomponent-CK
   skip-undeclared-third-bodies: true
   kinetics: gas
@@ -41,14 +41,13 @@ phases:
   state: {T: 1200.0 K, P: 2666.4473684210525 Pa, X: {H: 2.0e-03, H2: 0.988, CH3: 2.0e-04,
       CH4: 0.01}}
 - name: HighP
-  elements: [H, C]
+  elements: [H, C, O]
   species:
-  - gri30.yaml/species: [H, H2, CH3, CH4]
+  - methane_co2.yaml/species: [CO2, CH4]
   thermo: Redlich-Kwong
   transport: high-pressure
   skip-undeclared-third-bodies: true
   kinetics: gas
   reactions:
-  - gri30.yaml/reactions: declared-species
-  state: {T: 1200.0 K, P: 2666.4473684210525 Pa, X: {H: 2.0e-03, H2: 0.988, CH3: 2.0e-04,
-      CH4: 0.01}}
+  - gri30.yaml/reactions: none
+  state: {T: 1200.0 K, P: 2666.4473684210525 Pa, X: {CO2: 0.988, CH4: 0.012}}