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This is a bit of an oddball edge case, but the multicomponent transport model raises exceptions when computing properties for phases that only define a single species. However, computing properties for a phase where multiple species are defined but representing a pure species state works fine.
Steps to reproduce
>>> import cantera as ct
>>> yaml_ref ="""
phases:
- name: gas
thermo: ideal-gas
species:
- gri30.yaml/species: [H2]
"""
>>> gas = ct.Solution(yaml=yaml_ref)
>>> gas.transport_model ='multicomponent'
>>> print(gas.thermal_conductivity)
CanteraError:
*******************************************************************************
CanteraError thrown by solve(DenseMatrix& A, double* b):
DGETRF returned INFO = 1. U(i,i) is exactly zero. The factorization has been completed, but the factor U is exactly singular, and division by zero will occur if it is used to solve a system of equations.
*******************************************************************************
>>> print(gas.multi_diff_coeffs)
CanteraError:
*******************************************************************************
CanteraError thrown by invert(DenseMatrix& A, size_t nn):
DGETRS returned INFO = 1
*******************************************************************************
>>> print(gas.thermal_diff_coeffs)
CanteraError:
*******************************************************************************
CanteraError thrown by solve(DenseMatrix& A, double* b):
DGETRF returned INFO = 1. U(i,i) is exactly zero. The factorization has been completed, but the factor U is exactly singular, and division by zero will occur if it is used to solve a system of equations.
*******************************************************************************
Expected Behavior
I think the computed thermal conductivity should be the pure species thermal conductivity, the multicomponent diffusion coefficients should be a 1x1 matrix of [[0.0]] and the thermal diffusion coefficient should be a 1-element array [0.0].
System information
Cantera version: 3.1.0b1
OS: macOS Sequoia 15.1
Python/MATLAB/other software versions: Python 3.11, Apple Clang 16.0.0
The text was updated successfully, but these errors were encountered:
Problem description
This is a bit of an oddball edge case, but the
multicomponent
transport model raises exceptions when computing properties for phases that only define a single species. However, computing properties for a phase where multiple species are defined but representing a pure species state works fine.Steps to reproduce
Expected Behavior
I think the computed thermal conductivity should be the pure species thermal conductivity, the multicomponent diffusion coefficients should be a 1x1 matrix of [[0.0]] and the thermal diffusion coefficient should be a 1-element array [0.0].
System information
The text was updated successfully, but these errors were encountered: