From 5581fe33074e6b765fe1ed72157959347fc84686 Mon Sep 17 00:00:00 2001 From: Roberto Porcu Date: Wed, 28 May 2025 10:53:39 -0400 Subject: [PATCH 1/3] fix the definition of the NASA7-poly specific heat coefficients --- docs/source_docs/user_guide/inputs/fluid_model.rst | 2 +- docs/source_docs/user_guide/inputs/species_defs.rst | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/source_docs/user_guide/inputs/fluid_model.rst b/docs/source_docs/user_guide/inputs/fluid_model.rst index d0533cf..a24c95d 100644 --- a/docs/source_docs/user_guide/inputs/fluid_model.rst +++ b/docs/source_docs/user_guide/inputs/fluid_model.rst @@ -178,7 +178,7 @@ a single fluid; therefore, it is common to name the fluid ``fluid``. This is ill | | | | | | | NASA7 polynomial format: | | | | | | | | -| | :math:`c_p(T) = \sum_{i=0}^5 a_iT^i` | | | +| | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | | | * ``mixture`` - a *mixture* specific heat is computed | | | | | from :ref:`species specific heats` | | | diff --git a/docs/source_docs/user_guide/inputs/species_defs.rst b/docs/source_docs/user_guide/inputs/species_defs.rst index b093c10..ea2b8db 100644 --- a/docs/source_docs/user_guide/inputs/species_defs.rst +++ b/docs/source_docs/user_guide/inputs/species_defs.rst @@ -39,7 +39,7 @@ The following inputs are defined using the ``species`` prefix. | | | | | | | NASA7 polynomial format: | | | | | | | | -| | :math:`c_p(T) = \sum_{i=0}^5 a_iT^i` | | | +| | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | +--------------------------+------------------------------------------------------------------------+----------+-----------+ | ignore_discontinuities | MFIX-Exa asserts that the low and high NASA-7 polynomials are | int | 0 | -- GitLab From f96148936c685a68dfed200f5b96f7c6e930094e Mon Sep 17 00:00:00 2001 From: Roberto Porcu Date: Thu, 29 May 2025 20:36:52 -0400 Subject: [PATCH 2/3] specify differences with Chemkin --- docs/source_docs/user_guide/inputs/fluid_model.rst | 8 ++++++++ docs/source_docs/user_guide/inputs/species_defs.rst | 6 ++++++ 2 files changed, 14 insertions(+) diff --git a/docs/source_docs/user_guide/inputs/fluid_model.rst b/docs/source_docs/user_guide/inputs/fluid_model.rst index a24c95d..f310c2c 100644 --- a/docs/source_docs/user_guide/inputs/fluid_model.rst +++ b/docs/source_docs/user_guide/inputs/fluid_model.rst @@ -180,6 +180,11 @@ a single fluid; therefore, it is common to name the fluid ``fluid``. This is ill | | | | | | | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | +| | Note, our notation differs from the one in other | | | +| | software (e.g. Chemkin). We count 'a' coefficients | | | +| | starting from index 0, while other software starts from | | | +| | index 1. | | | +| | | | | | | * ``mixture`` - a *mixture* specific heat is computed | | | | | from :ref:`species specific heats` | | | | | and local species mass fractions. | | | @@ -206,6 +211,9 @@ a single fluid; therefore, it is common to name the fluid ``fluid``. This is ill | | coefficient for the high temperature polynomial | | | | | (T > 1000K). A total of twelve coefficients are required. | | | | | | | | +| | Note, our notation differs from the one in other software | | | +| | (e.g. Chemkin). We count 'a' coefficients starting from | | | +| | index 0, while other software starts from index 1. | | | +--------------------------------------------+------------------------------------------------------------+--------+----------+ | thermal_conductivity | Specify which thermal conductivity model to use for | String | None | | | fluid. Available options include: | | | diff --git a/docs/source_docs/user_guide/inputs/species_defs.rst b/docs/source_docs/user_guide/inputs/species_defs.rst index ea2b8db..839f310 100644 --- a/docs/source_docs/user_guide/inputs/species_defs.rst +++ b/docs/source_docs/user_guide/inputs/species_defs.rst @@ -41,6 +41,9 @@ The following inputs are defined using the ``species`` prefix. | | | | | | | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | +| | Note, our notation differs from the one in other software (e.g. | | | +| | Chemkin). We count 'a' coefficients starting from index 0, while | | | +| | other software starts from index 1. | | | +--------------------------+------------------------------------------------------------------------+----------+-----------+ | ignore_discontinuities | MFIX-Exa asserts that the low and high NASA-7 polynomials are | int | 0 | | | continuous at the 1000K temperature split. However, some polynomials | | | @@ -82,6 +85,9 @@ The following inputs are for each species defined using the ``species.[species n | | the coefficient for the high temperature polynomial (T > 1000K). A | | | | | total of twelve coefficients are required. | | | | | | | | +| | Note, our notation differs from the one in other software (e.g. | | | +| | Chemkin). We count 'a' coefficients starting from index 0, while other | | | +| | software starts from index 1. | | | +---------------------------------------+------------------------------------------------------------------------+----------+-----------+ | enthalpy_of_formation | Enthalpy of formation of species. This input is required only when | Real | 0 | | | the specific heat model is ``constant`` and chemical reactions | | | -- GitLab From 5246d2a7881bb9a6fb43d0de04ad1fa3f3fa6ef9 Mon Sep 17 00:00:00 2001 From: Jordan Musser Date: Wed, 4 Jun 2025 08:37:17 -0400 Subject: [PATCH 3/3] Updates for MR1490 --- .../user_guide/inputs/fluid_model.rst | 24 +++------ .../user_guide/inputs/species_defs.rst | 49 ++++++++++++------- 2 files changed, 38 insertions(+), 35 deletions(-) diff --git a/docs/source_docs/user_guide/inputs/fluid_model.rst b/docs/source_docs/user_guide/inputs/fluid_model.rst index f310c2c..1aef1ba 100644 --- a/docs/source_docs/user_guide/inputs/fluid_model.rst +++ b/docs/source_docs/user_guide/inputs/fluid_model.rst @@ -172,18 +172,15 @@ a single fluid; therefore, it is common to name the fluid ``fluid``. This is ill | | | | | | | * ``constant`` - the fluid has a constant specific heat | | | | | | | | -| | * ``NASA7-poly`` the fluid specific heat is defined by a | | | -| | low-temperature (T < 1000K) polynomial and a | | | -| | high-temperature (T > 1000K) polynomial. | | | +| | * ``NASA7-poly`` the fluid specific heat is defined by | | | +| | NASA-7 polynomails. | | | | | | | | | | NASA7 polynomial format: | | | | | | | | | | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | -| | Note, our notation differs from the one in other | | | -| | software (e.g. Chemkin). We count 'a' coefficients | | | -| | starting from index 0, while other software starts from | | | -| | index 1. | | | +| | Additional information on NASA-7 polynomials is provided | | | +| | in :ref:`species specific heats`. | | | | | | | | | | * ``mixture`` - a *mixture* specific heat is computed | | | | | from :ref:`species specific heats` | | | @@ -200,20 +197,13 @@ a single fluid; therefore, it is common to name the fluid ``fluid``. This is ill | | A value is required for ``constant`` specific heat model. | | | | | | | | +--------------------------------------------+------------------------------------------------------------+--------+----------+ -| specific_heat.NASA7.a[i] | Specific heat polynomial coefficients. Polynomial | Real | 0. 0. | +| specific_heat.NASA7.a[i] | Specific heat polynomial coefficients. Polynomial | Real | None | | | coefficients are required if the fluid specific heat | | | | | model is ``NASA7-poly``. | | | | | | | | -| | Each polynomial is defined by six coefficients (``a0``, | | | -| | ..., ``a5``), and two values are required for each | | | -| | coefficient. The first value is the low temperature | | | -| | polynomial coefficient (T < 1000K) and the second is the | | | -| | coefficient for the high temperature polynomial | | | -| | (T > 1000K). A total of twelve coefficients are required. | | | +| | Additional information on NASA-7 polynomials is provided | | | +| | in :ref:`species specific heats`. | | | | | | | | -| | Note, our notation differs from the one in other software | | | -| | (e.g. Chemkin). We count 'a' coefficients starting from | | | -| | index 0, while other software starts from index 1. | | | +--------------------------------------------+------------------------------------------------------------+--------+----------+ | thermal_conductivity | Specify which thermal conductivity model to use for | String | None | | | fluid. Available options include: | | | diff --git a/docs/source_docs/user_guide/inputs/species_defs.rst b/docs/source_docs/user_guide/inputs/species_defs.rst index 839f310..ad83fcf 100644 --- a/docs/source_docs/user_guide/inputs/species_defs.rst +++ b/docs/source_docs/user_guide/inputs/species_defs.rst @@ -30,20 +30,15 @@ The following inputs are defined using the ``species`` prefix. | | and a *mixture* specific heat is computed based on the fluid or | | | | | particle composition. | | | | | | | | -| | * ``NASA7-poly`` the specific heat of each species is defined by two | | | -| | polynomials that are a function of temperature, then a *mixture* | | | -| | specific heat is computed based on the fluid or particle | | | -| | composition. One polynomial defines the specific across the low | | | -| | temperature range while the second defines the specific heat across | | | -| | the high temperature range. | | | +| | * ``NASA7-poly`` the specific heat of each species is defined by one | | | +| | or more polynomials that are a function of temperature, then the | | | +| | *mixture* specific heat is computed based on the fluid or particle | | | +| | composition. | | | | | | | | | | NASA7 polynomial format: | | | | | | | | | | :math:`c_p(T)/R = \sum_{i=0}^4 a_{i}T^{i}` | | | | | | | | -| | Note, our notation differs from the one in other software (e.g. | | | -| | Chemkin). We count 'a' coefficients starting from index 0, while | | | -| | other software starts from index 1. | | | +--------------------------+------------------------------------------------------------------------+----------+-----------+ | ignore_discontinuities | MFIX-Exa asserts that the low and high NASA-7 polynomials are | int | 0 | | | continuous at the 1000K temperature split. However, some polynomials | | | @@ -75,19 +70,37 @@ The following inputs are for each species defined using the ``species.[species n | | species if the fluid (solids) ``specific_heat = mixture`` and the | | | | | specific heat model is ``constant`` | | | +---------------------------------------+------------------------------------------------------------------------+----------+-----------+ -| specific_heat.NASA7.a[i] | Species specific heat polynomial coefficients. Required for all fluid | Real | 0. 0. | +| specific_heat.NASA7.a[i] | Species specific heat polynomial coefficients. Required for all fluid | Real | None | | | (solids) species if the fluid (solids) ``specific_heat = mixture`` | | | | | and the specific heat model is ``NASA7-poly`` | | | | | | | | -| | Each polynomial is defined by six coefficients (``a0`` .. ``a5``), and | | | -| | two values are required for each coefficient. The first value is the | | | -| | low temperature polynomial coefficient (T < 1000K) and the second is | | | -| | the coefficient for the high temperature polynomial (T > 1000K). A | | | -| | total of twelve coefficients are required. | | | +| | * Each polynomial is defined by six coefficients (``a0`` ... ``a5``). | | | +| | Coefficients ``a0`` through ``a4`` are use for computing specific | | | +| | heat while all six coefficients are used to compute enthalpy. | | | +| | The seventh coefficient, ``a6``, may be provided for completeness | | | +| | but is not used as MFIX-Exa presently does not need to compute | | | +| | entropy. | | | +| | | | | +| | * By default, two sets of coefficients are required. The coefficients | | | +| | define two polynomials used to compute the specific heat and | | | +| | enthalpy across low and high temperatures. The *split temperature* | | | +| | defines the transition from low-to-high polynomials. | | | +| | | | | +| | * A single polynomial can be used for all temperatures by setting the | | | +| | *split temperature* to -1. | | | +| | | | | +| | * Three or more polynomials can be used by defining multiple split | | | +| | temperatures. | | | +| | | | | ++---------------------------------------+------------------------------------------------------------------------+----------+-----------+ +| specific_heat.NASA7.Tsplit | Defines the temperature transition between NASA-7 polynomials. | Real | 1000. | +| | | | | +| | * Setting ``Tsplit = -1`` signifies that a single polynomial defines | | | +| | the specific heat and enthalpy for all temperatures. | | | +| | | | | +| | * Specifying ``N`` split temperatures where ``N>1``, signifies ``N+1`` | | | +| | polynomials are used to define the specific heat and enthalpy. | | | | | | | | -| | Note, our notation differs from the one in other software (e.g. | | | -| | Chemkin). We count 'a' coefficients starting from index 0, while other | | | -| | software starts from index 1. | | | +---------------------------------------+------------------------------------------------------------------------+----------+-----------+ | enthalpy_of_formation | Enthalpy of formation of species. This input is required only when | Real | 0 | | | the specific heat model is ``constant`` and chemical reactions | | | -- GitLab