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This repository has been archived by the owner on Jun 7, 2024. It is now read-only.
Unless this is a new bug, different viscosities lead to diifferent oxygen consumption rates, as expected. (I initially looked at it for single components and plotted it a few times.)
However, I find that for a multicomponent mixture, varying the viscosity parameter has no effect...
Only the solvent type (decane vs. dodecane) has an impact on the O2 consumption rate.
Input file for one case below - I covered 6e-4 to 1.5e-3
Database: RMG_database
PrimaryThermoLibrary:
Name: GRIMech3.0
Location: GRI-Mech3.0
Name: RMG-minimal
Location: primaryThermoLibrary
END
PrimaryTransportLibrary:
Name: GRIMech3.0
Location: GRI-Mech3.0
END
ReadRestart: no
WriteRestart: yes
TemperatureModel: Constant (K) 423
PressureModel: Constant (atm) 7.14
/// THESE ARE THE IMPORTANT PARTS FOR LIQUID SIMULATIONS
EquationOfState: Liquid
Solvation: on dodecane
Diffusion: on 8.6e-4
InitialStatus:
C10H22 (mol/l) 1.1
1 C 0 {2,S}
2 C 0 {1,S} {3,S}
3 C 0 {2,S} {4,S}
4 C 0 {3,S} {5,S}
5 C 0 {4,S} {6,S}
6 C 0 {5,S} {7,S}
7 C 0 {6,S} {8,S}
8 C 0 {7,S} {9,S}
9 C 0 {8,S} {10,S}
10 C 0 {9,S}
C11H24 (mol/l) 1.1
1 C 0 {2,S}
2 C 0 {1,S} {3,S}
3 C 0 {2,S} {4,S}
4 C 0 {3,S} {5,S}
5 C 0 {4,S} {6,S}
6 C 0 {5,S} {7,S}
7 C 0 {6,S} {8,S}
8 C 0 {7,S} {9,S}
9 C 0 {8,S} {10,S}
10 C 0 {9,S} {11,S}
11 C 0 {10,S}
C12H26 (mol/l) 1.1
1 C 0 {2,S}
2 C 0 {1,S} {3,S}
3 C 0 {2,S} {4,S}
4 C 0 {3,S} {5,S}
5 C 0 {4,S} {6,S}
6 C 0 {5,S} {7,S}
7 C 0 {6,S} {8,S}
8 C 0 {7,S} {9,S}
9 C 0 {8,S} {10,S}
10 C 0 {9,S} {11,S}
11 C 0 {10,S} {12,S}
12 C 0 {11,S}
C13H28 (mol/l) 1.1
1 C 0 {2,S}
2 C 0 {1,S} {3,S}
3 C 0 {2,S} {4,S}
4 C 0 {3,S} {5,S}
5 C 0 {4,S} {6,S}
6 C 0 {5,S} {7,S}
7 C 0 {6,S} {8,S}
8 C 0 {7,S} {9,S}
9 C 0 {8,S} {10,S}
10 C 0 {9,S} {11,S}
11 C 0 {10,S} {12,S}
12 C 0 {11,S} {13,S}
13 C 0 {12,S}
C14H30 (mol/l) 0.3
1 C 0 {2,S}
2 C 0 {1,S} {3,S}
3 C 0 {2,S} {4,S}
4 C 0 {3,S} {5,S}
5 C 0 {4,S} {6,S}
6 C 0 {5,S} {7,S}
7 C 0 {6,S} {8,S}
8 C 0 {7,S} {9,S}
9 C 0 {8,S} {10,S}
10 C 0 {9,S} {11,S}
11 C 0 {10,S} {12,S}
12 C 0 {11,S} {13,S}
13 C 0 {12,S} {14,S}
14 C 0 {13,S}
O2 (mol/l) 0.02
1 O 1 {2,S}
2 O 1 {1,S}
END
InertGas:
END
SpectroscopicDataEstimator: off
PressureDependence: off
FinishController:
(1) Goal ReactionTime: 120 (min)
(2) Error Tolerance: 0.1
DynamicSimulator: DASSL
TimeStep: AUTO
Atol: 1e-18
Rtol: 1e-8
PrimaryKineticLibrary:
END
ReactionLibrary:
END
SeedMechanism:
END
ChemkinUnits:
A: moles
Ea: kcal/mol
The text was updated successfully, but these errors were encountered:
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Unless this is a new bug, different viscosities lead to diifferent oxygen consumption rates, as expected. (I initially looked at it for single components and plotted it a few times.)
However, I find that for a multicomponent mixture, varying the viscosity parameter has no effect...
Only the solvent type (decane vs. dodecane) has an impact on the O2 consumption rate.
Input file for one case below - I covered 6e-4 to 1.5e-3
The text was updated successfully, but these errors were encountered: