Plasma phase

.gitignore

@@ -27,6 +27,7 @@ interfaces/matlab/Contents.m
 stage/
 .sconsign.dblite
 .sconf_temp
+.vscode
 cantera.conf*
 config.log
 *.lib

doc/sphinx/yaml/phases.rst

@@ -822,3 +822,70 @@ A multi-species Redlich-Kwong phase as
 
 The parameters for each species are contained in the corresponding species
 entries.
+
+.. _sec-yaml-plasma-phase:
+
+``plasma-phase``
+----------------
+
+A phase for plasma. This phase handles plasma properties such as the electron
+energy distribution and electron temperature with different models as
+`described here <https://cantera.org/documentation/dev/doxygen/html/d5/dd7/classCantera_1_1PlasmaPhase.html#details>`__.
+
+
+Additional fields:
+
+``electron-energy-distribution``
+    A mapping with the following fields:
+
+    ``type``
+        String specifying the type of the electron energy distribution to be used.
+        Supported model strings are:
+
+        - `isotropic`
+        - `discretized`
+
+    ``shape-factor``
+        A constant in the isotropic distribution, which is shown as x in the
+        detailed description of this class. The value needs to be a positive
+        number. This field is only used with `isotropic`. Defaults to 2.0.
+
+    ``mean-electron-energy``
+        Mean electron energy of the isotropic distribution. The default sets
+        the electron temperature equal gas temperature and uses the
+        corresponding electron energy as mean electron energy.  This field
+        is only used with `isotropic`.
+
+    ``energy-levels``
+        A list of values specifying the electron energy levels. The default
+        uses 1001 equal spaced points from 0 to 1 eV.
+
+    ``distribution``
+        A list of values specifying the discretized electron energy distribution.
+        This field is only used with `discretized`.
+
+    ``normalize``
+        A flag specifying whether normalizing the discretized electron energy
+        distribution or not. This field is only used with `discretized`.
+        Defaults to ``true``.
+
+Example::
+
+    - name: isotropic-electron-energy-plasma
+      thermo: plasma
+      kinetics: gas
+      transport: Ion
+      electron-energy-distribution:
+        type: isotropic
+        shape-factor: 2.0
+        mean-electron-energy: 1.0 eV
+        energy-levels: [0.0, 0.1, 1.0, 10.0]
+    - name: discretized-electron-energy-plasma
+      thermo: plasma
+      kinetics: gas
+      transport: Ion
+      electron-energy-distribution:
+        type: discretized
+        energy-levels: [0.0, 0.1, 1.0, 10.0]
+        distribution: [0.0, 0.2, 0.7, 0.01]
+        normalize: False

include/cantera/numerics/funcs.h

@@ -10,6 +10,7 @@
 #define CT_FUNCS_H
 
 #include "cantera/base/ct_defs.h"
+#include "cantera/numerics/eigen_sparse.h"
 
 namespace Cantera
 {
@@ -28,6 +29,44 @@ namespace Cantera
  */
 doublereal linearInterp(doublereal x, const vector_fp& xpts,
                         const vector_fp& fpts);
-}
 
+//! Numerical integration of a function using the trapezoidal rule.
+/*!
+ * Vector x contanins a monotonic sequence of grid points, and
+ * Vector f contains function values defined at these points.
+ * The size of x and f must be the same.
+ *
+ * @param  f vector of function value
+ * @param  x vector of function coordinate
+ */
+double trapezoidal(const Eigen::ArrayXd& f, const Eigen::ArrayXd& x);
+
+//! Numerical integration of a function using Simpson's rule
+//! with flexibility of taking odd and even number of points.
+//! For even number, Simpson's rule is used for the first
+//! N-2 intervals with a trapezoidal rule on the last interval.
+/*!
+ * Vector x contanins a monotonic sequence of grid points, and
+ * Vector f contains function values defined at these points.
+ * The size of x and f must be the same.
+ *
+ * @param  f vector of function value
+ * @param  x vector of function coordinate
+ */
+double simpson(const Eigen::ArrayXd& f, const Eigen::ArrayXd& x);
+
+//! Numerical integration of a function.
+/*!
+ * Vector x contanins a monotonic sequence of grid points, and
+ * Vector f contains function values defined at these points.
+ * The size of x and f must be the same.
+ *
+ * @param  method method name
+ * @param  f vector of function value
+ * @param  x vector of function coordinate
+ */
+double numericalQuadrature(const std::string& method,
+                           const Eigen::ArrayXd& f,
+                           const Eigen::ArrayXd& x);
+}
 #endif

include/cantera/thermo/IdealGasPhase.h

@@ -42,7 +42,7 @@ namespace Cantera
  * This class is optimized for speed of execution. All calls to thermodynamic
  * functions first call internal routines (aka #enthalpy_RT_ref()) which return
  * references the reference state thermodynamics functions. Within these
- * internal reference state functions, the function #_updateThermo() is called,
+ * internal reference state functions, the function #updateThermo() is called,
  * that first checks to see whether the temperature has changed. If it has, it
  * updates the internal reference state thermo functions by calling the
  * MultiSpeciesThermo object.
@@ -548,7 +548,7 @@ class IdealGasPhase: public ThermoPhase
      * state thermo functions.
      */
     const vector_fp& enthalpy_RT_ref() const {
-        _updateThermo();
+        updateThermo();
         return m_h0_RT;
     }
 
@@ -558,7 +558,7 @@ class IdealGasPhase: public ThermoPhase
      * state thermo functions.
      */
     const vector_fp& gibbs_RT_ref() const {
-        _updateThermo();
+        updateThermo();
         return m_g0_RT;
     }
 
@@ -568,7 +568,7 @@ class IdealGasPhase: public ThermoPhase
      * state thermo functions.
      */
     const vector_fp& entropy_R_ref() const {
-        _updateThermo();
+        updateThermo();
         return m_s0_R;
     }
 
@@ -578,7 +578,7 @@ class IdealGasPhase: public ThermoPhase
      * state thermo functions.
      */
     const vector_fp& cp_R_ref() const {
-        _updateThermo();
+        updateThermo();
         return m_cp0_R;
     }
 
@@ -612,8 +612,7 @@ class IdealGasPhase: public ThermoPhase
     //! Temporary array containing internally calculated partial pressures
     mutable vector_fp m_pp;
 
-private:
-    //! Update the species reference state thermodynamic functions
+    //! @internal Update the species reference state thermodynamic functions
     /*!
      *  This method is called each time a thermodynamic property is requested,
      *  to check whether the internal species properties within the object
@@ -625,7 +624,7 @@ class IdealGasPhase: public ThermoPhase
      *  concentration dependent information at the time the setMoleFractions()
      *  (or equivalent) call is made.
      */
-    void _updateThermo() const;
+    virtual void updateThermo() const;
 };
 
 }

include/cantera/thermo/Phase.h

@@ -657,8 +657,8 @@ class Phase
 
     //! Electron Temperature (K)
     //!     @return The electron temperature of the phase
-    double electronTemperature() const {
-        return m_electronTemp;
+    virtual double electronTemperature() const {
+        return m_temp;
     }
 
     //! Return the thermodynamic pressure (Pa).
@@ -716,7 +716,7 @@ class Phase
 
     //! Set the internally stored temperature of the phase (K).
     //!     @param temp Temperature in Kelvin
-    virtual void setTemperature(const doublereal temp) {
+    virtual void setTemperature(double temp) {
         if (temp > 0) {
             m_temp = temp;
         } else {
@@ -727,13 +727,9 @@ class Phase
 
     //! Set the internally stored electron temperature of the phase (K).
     //!     @param etemp Electron temperature in Kelvin
-    virtual void setElectronTemperature(const double etemp) {
-        if (etemp > 0) {
-            m_electronTemp = etemp;
-        } else {
-            throw CanteraError("Phase::setElectronTemperature",
-                               "electron temperature must be positive. Te = {}", etemp);
-        }
+    virtual void setElectronTemperature(double etemp) {
+        throw NotImplementedError("Phase::setElectronTemperature",
+            "Not implemented for thermo model '{}'", type());
     }
 
     //! @}
@@ -985,9 +981,6 @@ class Phase
 
     doublereal m_temp; //!< Temperature (K). This is an independent variable
 
-    //! Electron Temperature (K).
-    double m_electronTemp;
-
     //! Density (kg m-3). This is an independent variable except in the case
     //! of incompressible phases, where it has to be changed using the
     //! assignDensity() method. For compressible substances, the pressure is