doxygen update
This commit is contained in:
Harry Moffat
parent
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3 changed files with 953 additions and 946 deletions
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@ -1,10 +1,13 @@
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/**
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* @file L_matrix.h
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*
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* functions to evaluate portions of the L matrix needed for
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* Functions to evaluate portions of the L matrix needed for
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* multicomponent transport properties.
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*/
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/*
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* $Id$
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*/
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#ifndef CT_LMATRIX_H
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#define CT_LMATRIX_H
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@ -20,16 +23,15 @@
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#include <vector>
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/////////////////////////////////////////////////////////////////////
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namespace Cantera {
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//====================================================================================================================
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// #define CHEMKIN_COMPATIBILITY_MODE
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//! Constant to compare dimensionless heat capacities against zero
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const doublereal Min_C_Internal = 0.001;
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//====================================================================================================================
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bool MultiTransport::hasInternalModes(int j) {
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#ifdef CHEMKIN_COMPATIBILITY_MODE
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return (m_crot[j] > Min_C_Internal);
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@ -38,11 +40,11 @@ namespace Cantera {
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#endif
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}
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/**
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//====================================================================================================================
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/*
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* Evaluate the upper-left block of the L matrix.
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*/
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void MultiTransport::eval_L0000(const doublereal* x) {
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void MultiTransport::eval_L0000(const doublereal* const x) {
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doublereal prefactor = 16.0*m_temp/25.0;
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doublereal sum;
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@ -63,12 +65,8 @@ namespace Cantera {
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m_Lmatrix(i,i) = 0.0;
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}
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}
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////////////////////////////////////////////////////////////////////////////
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void MultiTransport::eval_L0010(const doublereal* x) {
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//====================================================================================================================
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void MultiTransport::eval_L0010(const doublereal* const x) {
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doublereal prefactor = 1.6*m_temp;
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@ -91,11 +89,7 @@ namespace Cantera {
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m_Lmatrix(j,j+m_nsp) += sum;
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}
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}
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////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L1000() {
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int i, j;
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for (j = 0; j < m_nsp; j++) {
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@ -104,10 +98,7 @@ namespace Cantera {
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}
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}
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}
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//////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L1010(const doublereal* x) {
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const doublereal fiveover3pi = 5.0/(3.0*Pi);
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@ -150,10 +141,7 @@ namespace Cantera {
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m_Lmatrix(j+m_nsp,j+m_nsp) -= sum*constant1;
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}
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}
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//////////////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L1001(const doublereal* x) {
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doublereal prefactor = 32.00*m_temp/(5.00*Pi);
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@ -180,18 +168,18 @@ namespace Cantera {
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}
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}
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}
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////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L0001() {
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int i, j;
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int n2 = 2*m_nsp;
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for (j = 0; j < m_nsp; j++)
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for (i = 0; i < m_nsp; i++)
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for (j = 0; j < m_nsp; j++) {
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for (i = 0; i < m_nsp; i++) {
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m_Lmatrix(i,j+n2) = 0.0;
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}
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}
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}
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////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L0100() {
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int i, j;
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@ -200,8 +188,7 @@ namespace Cantera {
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for (i = 0; i < m_nsp; i++)
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m_Lmatrix(i+n2,j) = 0.0; // see Eq. (12.123)
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}
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////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L0110() {
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int i, j;
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@ -210,10 +197,7 @@ namespace Cantera {
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for (i = 0; i < m_nsp; i++)
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m_Lmatrix(i+n2,j+m_nsp) = m_Lmatrix(j+m_nsp,i+n2); // see Eq. (12.123)
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}
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////////////////////////////////////////////////////////////////////////
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//====================================================================================================================
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void MultiTransport::eval_L0101(const doublereal* x) {
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const doublereal fivepi = 5.00*Pi;
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@ -245,11 +229,12 @@ namespace Cantera {
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- constant1*sum;
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}
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else {
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for (k = 0; k < m_nsp; k++)
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for (k = 0; k < m_nsp; k++) {
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m_Lmatrix(i+n2,i+n2) = 1.0;
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}
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}
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}
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}
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}
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//======================================================================================================================
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#endif
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File diff suppressed because it is too large
Load diff
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@ -1,5 +1,4 @@
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/**
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*
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* @file MultiTransport.h
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* Interface for class MultiTransport
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*
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@ -31,7 +30,7 @@
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namespace Cantera {
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//====================================================================================================================
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//! Transport solve options
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enum TRANSOLVE_TYPE {
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//! Solve the dense matrix via a gmres iteration
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@ -39,14 +38,12 @@ namespace Cantera {
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//! Solve the dense matrix via an LU gauss elimination
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TRANSOLVE_LU
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};
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//====================================================================================================================
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class GasTransportParams;
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/////////////////////////////////////////////////////////////
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/**
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* Class L_Matrix is used to represent the "L" matrix. This class
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* is used instead of DenseMatrix so that a version of mult can be
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//====================================================================================================================
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//! Class L_Matrix is used to represent the "L" matrix.
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/*!
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* This class is used instead of DenseMatrix so that a version of mult can be
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* used that knows about the structure of the L matrix,
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* specifically that the upper-right and lower-left blocks are
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* zero.
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@ -69,19 +66,28 @@ namespace Cantera {
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};
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/**
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* Class MultiTransport implements multicomponent transport
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* properties for ideal gas mixtures. The implementation generally
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//====================================================================================================================
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//! Class MultiTransport implements multicomponent transport
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//! properties for ideal gas mixtures.
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/*!
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*
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* The implementation generally
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* follows the procedure outlined in Kee, Coltrin, and Glarborg,
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* "Theoretical and Practical Aspects of Chemically Reacting Flow
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* Modeling," Wiley Interscience. @ingroup transportProps
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* Modeling," Wiley Interscience.
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*
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* @ingroup transportProps
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*/
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class MultiTransport : public Transport {
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protected:
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//! default constructor
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MultiTransport(thermo_t* thermo=0);
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public:
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//! Destructor
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virtual ~MultiTransport();
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// overloaded base class methods
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@ -97,7 +103,14 @@ namespace Cantera {
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virtual void getSpeciesViscosities(doublereal* const visc)
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{ updateViscosity_T(); std::copy(m_visc.begin(), m_visc.end(), visc); }
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//! Return the thermal diffusion coefficients for the species
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/*!
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*
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* @param dt thermal diffusion coefficients
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* (length = m_nsp)
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*/
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virtual void getThermalDiffCoeffs(doublereal* const dt);
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virtual doublereal thermalConductivity();
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virtual void getBinaryDiffCoeffs(const int ld, doublereal* const d);
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@ -118,19 +131,19 @@ namespace Cantera {
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/*!
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* Units for the returned fluxes are kg m-2 s-1.
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*
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* @param ndim Number of dimensions in the flux expressions
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* @param grad_T Gradient of the temperature
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* (length = ndim)
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* @param ldx Leading dimension of the grad_X array
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* (usually equal to m_nsp but not always)
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* @param grad_X Gradients of the mole fraction
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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* @param ldf Leading dimension of the fluxes array
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* (usually equal to m_nsp but not always)
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* @param fluxes Output of the diffusive mass fluxes
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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* @param ndim Number of dimensions in the flux expressions
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* @param grad_T Gradient of the temperature
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* (length = ndim)
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* @param ldx Leading dimension of the grad_X array
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* (usually equal to m_nsp but not always)
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* @param grad_X Gradients of the mole fraction
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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* @param ldf Leading dimension of the fluxes array
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* (usually equal to m_nsp but not always)
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* @param fluxes Output of the diffusive mass fluxes
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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*/
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virtual void getSpeciesFluxes(int ndim,
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const doublereal* grad_T,
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int ldf,
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doublereal* fluxes);
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//! Get the molar fluxes [kmol/m^2/s], given the thermodynamic
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//! Get the molar diffusional fluxes [kmol/m^2/s] of the species, given the thermodynamic
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//! state at two nearby points.
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/*!
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* The molar diffusional fluxes are calculated with reference to the mass averaged
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* velocity. This is a one-dimensional vector
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*
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* @param state1 Array of temperature, density, and mass
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* fractions for state 1.
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* @param state2 Array of temperature, density, and mass
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* fractions for state 2.
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* @param delta Distance from state 1 to state 2 (m).
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* @param fluxes Output molar fluxes of the species.
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* (length = m_nsp)
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*/
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virtual void getMolarFluxes(const doublereal* const state1,
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const doublereal* const state2,
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const doublereal delta,
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doublereal* const fluxes);
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//! Get the mass diffusional fluxes [kg/m^2/s] of the species, given the thermodynamic
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//! state at two nearby points.
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/*!
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* The specific diffusional fluxes are calculated with reference to the mass averaged
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* velocity. This is a one-dimensional vector
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*
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* @param state1 Array of temperature, density, and mass
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* fractions for state 1.
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* @param state2 Array of temperature, density, and mass
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* fractions for state 2.
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* @param delta Distance from state 1 to state 2 (m).
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* @param fluxes Output mass fluxes of the species.
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* (length = m_nsp)
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*/
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virtual void getMassFluxes(const doublereal* state1,
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const doublereal* state2, doublereal delta,
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doublereal* fluxes);
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/**
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* @internal
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*/
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virtual bool initGas( GasTransportParams& tr );
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//! Initialize the transport operator with parameters from GasTransportParams object
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/*!
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* @param tr input GasTransportParams object
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*/
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virtual bool initGas(GasTransportParams& tr);
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/**
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struct GasTransportData getGasTransportData(int);
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protected:
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/// default constructor
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MultiTransport(thermo_t* thermo=0);
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private:
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// int m_update_transport_T;
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@ -249,10 +282,12 @@ namespace Cantera {
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std::vector<std::vector<int> > m_poly;
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std::vector<vector_fp > m_astar_poly;
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std::vector<vector_fp > m_bstar_poly;
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std::vector<vector_fp > m_cstar_poly;
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std::vector<vector_fp > m_om22_poly;
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std::vector<vector_fp> m_astar_poly;
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std::vector<vector_fp> m_bstar_poly;
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std::vector<vector_fp> m_cstar_poly;
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std::vector<vector_fp> m_om22_poly;
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//! Dense matrix for astar
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DenseMatrix m_astar;
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DenseMatrix m_bstar;
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DenseMatrix m_cstar;
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@ -293,6 +328,8 @@ namespace Cantera {
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vector_fp m_spwork, m_spwork1, m_spwork2, m_spwork3;
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void correctBinDiffCoeffs();
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//! Boolean indicating viscosity is up to date
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bool m_visc_ok;
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bool m_spvisc_ok;
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bool m_diff_ok;
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bool m_lmatrix_soln_ok;
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int m_mode;
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void eval_L0000(const doublereal* x);
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void eval_L0010(const doublereal* x);
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//! Evalulate the L0000 matrices
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/*!
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* Evaluate the upper-left block of the L matrix.
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* @param x vector of species mole fractions
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*/
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void eval_L0000(const doublereal* const x);
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//! Evalulate the L0010 matrices
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/*!
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* @param x vector of species mole fractions
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*/
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void eval_L0010(const doublereal* const x);
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//! Evalulate the L1000 matrices
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/*!
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*
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*/
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void eval_L1000();
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void eval_L0100();
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void eval_L0001();
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void eval_L1010(const doublereal* x);
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