Update / Add High pressure transport

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.

doc/doxygen/Doxyfile

@@ -1725,7 +1725,7 @@ FORMULA_FONTSIZE       = 10
 # to create new LaTeX commands to be used in formulas as building blocks. See
 # the section "Including formulas" for details.
 
-FORMULA_MACROFILE      =
+FORMULA_MACROFILE      = doc/doxygen/macros.tex
 
 # Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see
 # https://www.mathjax.org) which uses client side JavaScript for the rendering

doc/doxygen/cantera.bib

@@ -60,6 +60,26 @@ @article{dixon-lewis1968
     year = {1968},
     doi = {10.1098/rspa.1968.0178},
     URL = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1968.0178}}
+@article{ely-hanley1981,
+    author = {Ely, James F. and Hanley, H. J. M.},
+    title = {Prediction of transport properties. 1. Viscosity of fluids and mixtures},
+    journal = {Industrial \& Engineering Chemistry Fundamentals},
+    volume = {20},
+    number = {4},
+    pages = {323-332},
+    year = {1981},
+    doi = {10.1021/i100004a004},
+    URL = {https://doi.org/10.1021/i100004a004}}
+@article{ely-hanley1983,
+    author = {Ely, James F. and Hanley, H. J. M.},
+    title = {Prediction of transport properties. 2. Thermal conductivity of pure fluids and mixtures},
+    journal = {Industrial \& Engineering Chemistry Fundamentals},
+    volume = {22},
+    number = {1},
+    pages = {90-97},
+    year = {1983},
+    doi = {10.1021/i100009a016},
+    URL = {https://doi.org/10.1021/i100009a016}}
 @article{gilbert1983,
     author = {R.~G.~Gilbert and K.~Luther and J.~Troe},
     journal = {Berichte der Bunsengesellschaft für physikalische Chemie},

doc/doxygen/macros.tex

@@ -0,0 +1,3 @@
+% Macros defined here should also be defined in Sphinx conf.py
+\newcommand{\t}[1]{\mathrm{#1}}
+\newcommand{\pxpy}[2]{\frac{\partial #1}{\partial #2}}

doc/example-keywords.txt

@@ -40,9 +40,9 @@ reaction path analysis
 reactor network
 saving output
 sensitivity analysis
+shock tube
 strained flame
 surface chemistry
-shock tube
 thermodynamic cycle
 thermodynamics
 transport

doc/sphinx/conf.py

@@ -220,6 +220,7 @@ def escape_splats(app, what, name, obj, options, lines):
     "attrs_block",
 ]
 
+# For Doxygen pages, these macros are also defined in doc/doxygen/macros.tex
 mathjax3_config = {
     'tex': {
         'macros': {

doc/sphinx/reference/transport/index.md

@@ -45,11 +45,20 @@ Mixture-averaged
   to `mixture-averaged`. Implemented by class {ct}`MixTransport`.
 
 High-pressure Gas
-: A model for high-pressure gas transport properties based on a method of corresponding
-  states {cite:p}`takahashi1975,poling2001`. The high-pressure gas transport model can
-  be specified in the YAML format by setting the [`transport`](sec-yaml-phase-transport)
-  field of the phase entry to `high-pressure`. Implemented by
-  class {ct}`HighPressureGasTransport`.
+: A model for high-pressure gas transport properties that uses the Lucas method of
+  corresponding states {cite:p}`poling2001` for viscosity and thermal
+  conductivity and the Takahashi method {cite:p}`takahashi1975,poling2001` for the
+  diffusion coefficient. This high-pressure gas transport model can be specified in
+  the YAML format by setting the [`transport`](sec-yaml-phase-transport) field of the
+  phase entry to `high-pressure`. Implemented by class {ct}`HighPressureGasTransport`.
+
+Chung high-pressure Gas
+: A model for high-pressure gas transport properties that uses the method of Chung
+  {cite:p}`poling2001` for viscosity and thermal conductivity and the Takahashi method
+  {cite:p}`takahashi1975,poling2001` for the diffusion coefficient. This high-pressure
+  gas transport model can be specified in the YAML format by setting the
+  [`transport`](sec-yaml-phase-transport) field of the phase entry to
+  `high-pressure-Chung`. Implemented by class {ct}`ChungHighPressureGasTransport`.
 
 Ionized Gas
 : A model implementing the Stockmayer-(n,6,4) model for transport of ions in a gas. The

doc/sphinx/yaml/phases.md

@@ -142,6 +142,8 @@ are:
   - `none`
   - `high-pressure`: A model for high-pressure gas transport properties based on a
     method of corresponding states ({ct}`details <HighPressureGasTransport>`)
+  - `high-pressure-Chung`: A model for high-pressure gas transport properties based on
+    the method of Chung ({ct}`details <ChungHighPressureGasTransport>`)
   - `ionized-gas`: A model implementing the Stockmayer-(n,6,4) model for transport of
     ions in a gas ({ct}`details <IonGasTransport>`)
   - `mixture-averaged`: The mixture-averaged transport model for ideal gases

include/cantera/transport/GasTransport.h

@@ -54,12 +54,20 @@ class GasTransport : public Transport
         std::copy(m_visc.begin(), m_visc.end(), visc);
     }
 
-    //! Returns the matrix of binary diffusion coefficients.
-    /*!
-     * d[ld*j + i] = rp * m_bdiff(i,j);
+    /**
+     * Computes the matrix of binary diffusion coefficients. Units are m^2/s.
+     *
+     * The matrix is dimension m_nsp x m_nsp, where m_nsp is the number of
+     * species. The matrix is stored in row-major order, so that d[ld*j + i]
+     * contains the binary diffusion coefficient of species i with respect to
+     * species j.
+     *
+     * d[ld*j + i] = m_bdiff(i,j) / p
      *
-     * @param ld   offset of rows in the storage
-     * @param d    output vector of diffusion coefficients. Units of m**2 / s
+     * @param ld   Inner stride for writing the two dimension diffusion
+     *             coefficients into a one dimensional vector
+     * @param d    Diffusion coefficient matrix (must be at least m_nsp * m_nsp
+     *             in length.
      */
     void getBinaryDiffCoeffs(const size_t ld, double* const d) override;
 
@@ -205,7 +213,7 @@ class GasTransport : public Transport
      * name of a file containing transport property parameters and a list of
      * species names.
      */
-    void getTransportData();
+    virtual void getTransportData();
 
     //! Corrections for polar-nonpolar binary diffusion coefficients
     /*!