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[Doc] Warn about problems with multiphase equilibrium solver
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@ -28,6 +28,11 @@ class ThermoPhase;
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* thermodynamic object, in contrast to the ThermoPhase object, which is an
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* "intrinsic" thermodynamic object.
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*
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* @warning The multiphase equilibrium solvers currently have a number of problems that
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* lead to solver failures or incorrect results for some inputs. See the
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* [list of issues on GitHub](https://github.com/Cantera/cantera/issues?q=is%3Aopen+is%3Aissue+label%3AEquilibrium)
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* for more information.
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*
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* MultiPhase may be considered to be "upstream" of the ThermoPhase objects in
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* the sense that setting a property within MultiPhase, such as temperature,
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* pressure, or species mole number, affects the underlying ThermoPhase
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@ -10,7 +10,6 @@ from ._utils cimport *
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cdef class Mixture:
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"""
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Class Mixture represents mixtures of one or more phases of matter. To
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construct a mixture, supply a list of phases to the constructor, each
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paired with the number of moles for that phase::
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@ -30,6 +29,17 @@ cdef class Mixture:
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this phase. Mixture objects, on the other hand, represent the full
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extensive state.
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.. caution::
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The Mixture class exists mainly for the purpose of providing input for multiphase
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equilibrium calculations. Its functionality for modifying the state of the
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mixture and computing properties is quite limited. Mixture objects cannot be used
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in conjunction with reactor networks.
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Furthermore, the multiphase equilibrium solvers currently have a number of
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problems that lead to solver failures or incorrect results for some inputs. See
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the `list of issues on GitHub <https://github.com/Cantera/cantera/issues?q=is%3Aopen+is%3Aissue+label%3AEquilibrium>`_
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for more information.
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Mixture objects are 'lightweight' in the sense that they do not store
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parameters needed to compute thermodynamic or kinetic properties of the
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phases. These are contained in the ('heavyweight') phase objects. Multiple
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@ -7,6 +7,11 @@ and multiple condensed phases.
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Requires: cantera >= 2.5.0, matplotlib >= 2.0
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.. warning::
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The results of this example are incorrect due to known issues with the multiphase
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equilibrium solver. See GitHub Issue
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`#270 <https://github.com/Cantera/cantera/issues/270>`_.
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.. tags:: Python, equilibrium, multiphase, plasma, saving output
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"""
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@ -157,6 +157,10 @@ class TestKOH_Equil(utilities.CanteraTest):
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data[i,1:] = self.mix.species_moles
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# The reference values for this test are all completely non-physical, due to the
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# VCS solver extrapolating thermo polynomials outside of their valid range. See
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# https://github.com/Cantera/cantera/issues/270. The results show ice at
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# temperatures of over 1000 K, and liquid water for temperatures of 2000-5000 K.
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self.compare(data, self.test_data_path / "koh-equil-TP.csv")
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@utilities.slow_test
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