Nasa9PolyMultiTempRegion.h

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/**
 *  @file Nasa9PolyMultiTempRegion.h
 *  Header for a single-species standard state object derived
 *  from \link Cantera::SpeciesThermoInterpType
 *  SpeciesThermoInterpType\endlink  based 
 *  on the NASA 9 coefficient temperature polynomial form
 *   applied to multiple temperature regions
 *  (see \ref spthermo and class \link Cantera::Nasa9PolyMultiTempRegion Nasa9PolyMultiTempRegion\endlink).
 *
 *  This parameterization has multiple NASA temperature regions.
 */


#ifndef CT_NASA9POLYMULTITEMPREGION_H
#define CT_NASA9POLYMULTITEMPREGION_H

/* $Author: hkmoffa $
 * $Revision: 279 $
 * $Date: 2009-12-05 14:08:43 -0500 (Sat, 05 Dec 2009) $
 */

// Copyright 2007  Sandia National Laboratories


#include "global.h"
#include "Nasa9Poly1.h"

namespace Cantera {
 
  //! The NASA 9 polynomial parameterization for a single species
  //! encompassing multiple temperature regions.
  /*!
   *  This parameterization expresses the heat capacity via a
   *  7 coefficient polynomial.
   *  Note that this is the form used in the
   *  2002 NASA equilibrium program. A reference to the form is
   *  provided below:
   *
   *  "NASA Glenn Coefficients for Calculating Thermodynamic
   *  Properties of Individual Species,"
   *  B. J. McBride, M. J. Zehe, S. Gordon
   *  NASA/TP-2002-211556, Sept. 2002
   *
   * Nine coefficients \f$(a_0,\dots,a_6)\f$ are used to represent
   * \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as
   * polynomials in \f$ T \f$ :
   * \f[
   * \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T
   *                  + a_4 T^2 + a_5 T^3 + a_6 T^4
   * \f]
   *
   * \f[
   * \frac{H^0(T)}{RT} = - a_0 T^{-2} + a_1 \frac{\ln(T)}{T} + a_2
   * + a_3 T + a_4 T^2  + a_5 T^3 + a_6 T^4 + \frac{a_7}{T}
   * \f]
   *
   * \f[
   * \frac{s^0(T)}{R} = - \frac{a_0}{2} T^{-2} - a_1 T^{-1} + a_2 \ln(T)
   +    + a_3 T  \frac{a_4}{2} T^2 + \frac{a_5}{3} T^3  + \frac{a_6}{4} T^4 + a_8
   * \f]
   *
   *  The standard state is assumed to be an ideal gas at the
   *  standard pressure of 1 bar, for gases.
   *  For condensed species, the standard state is the
   *  pure crystalline or liquid substance at the standard
   *  pressure of 1 atm.
   *
   * These NASA representations may have multiple temperature regions
   * through the use of this %Nasa9PolyMultiTempRegion object, which uses
   * multiple copies of the Nasa9Poly1 object to handle multiple temperature
   * regions.
   *
   * @ingroup spthermo
   */
  class Nasa9PolyMultiTempRegion : public SpeciesThermoInterpType {

  public:

    //! Empty constructor
    Nasa9PolyMultiTempRegion();

    //! Constructor used in templated instantiations
    /*!
     * @param regionPts Vector of pointers to Nasa9Poly1 objects. These 
     *                  objects all refer to the temperature regions for the
     *                  same species. The vector must be in increasing
     *                  temperature region format.  Together they
     *                  represent the reference temperature parameterization
     *                  for a single species.
     *
     *  Note, after the constructor, we will own the underlying 
     *  Nasa9Poly1 objects and be responsible for owning them. 
     */
    Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1 *> &regionPts);

    //! Copy constructor
    /*!
     * @param b object to be copied
     */
    Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b);

    //! Assignment operator
    /*!
     * @param b object to be copied
     */
    Nasa9PolyMultiTempRegion& operator=(const Nasa9PolyMultiTempRegion& b);

    //! Destructor
    virtual ~Nasa9PolyMultiTempRegion();

    //! Duplicator
    virtual SpeciesThermoInterpType *
    duplMyselfAsSpeciesThermoInterpType() const;

    //! Returns the minimum temperature that the thermo
    //! parameterization is valid
    virtual doublereal minTemp() const;

    //! Returns the maximum temperature that the thermo
    //! parameterization is valid
    virtual doublereal maxTemp() const;

    //! Returns the reference pressure (Pa)
    virtual doublereal refPressure() const;

    //! Returns an integer representing the type of parameterization
    virtual int reportType() const;

    //! Returns an integer representing the species index
    virtual int speciesIndex() const;
 
    //! Update the properties for this species, given a temperature polynomial
    /*!
     * This method is called with a pointer to an array containing the functions of
     * temperature needed by this  parameterization, and three pointers to arrays where the
     * computed property values should be written. This method updates only one value in
     * each array.
     *
     * Temperature Polynomial:
     *  tt[0] = t;
     *  tt[1] = t*t;
     *  tt[2] = t*t*t;
     *  tt[3] = t*t*t*t;
     *  tt[4] = 1.0/t;
     *  tt[5] = 1.0/(t*t);
     *  tt[6] = std::log(t);
     *
     * @param tt      vector of temperature polynomials
     * @param cp_R    Vector of Dimensionless heat capacities.
     *                (length m_kk).
     * @param h_RT    Vector of Dimensionless enthalpies.
     *                (length m_kk).
     * @param s_R     Vector of Dimensionless entropies.
     *                (length m_kk).
     */
    virtual void updateProperties(const doublereal* tt, 
                                  doublereal* cp_R, doublereal* h_RT, 
                                  doublereal* s_R) const;

 
    //! Compute the reference-state property of one species
    /*!
     * Given temperature T in K, this method updates the values of
     * the non-dimensional heat capacity at constant pressure,
     * enthalpy, and entropy, at the reference pressure, Pref
     * of one of the species. The species index is used
     * to reference into the cp_R, h_RT, and s_R arrays.
     *
     * Temperature Polynomial:
     *  tt[0] = t;
     *  tt[1] = t*t;
     *  tt[2] = t*t*t;
     *  tt[3] = t*t*t*t;
     *  tt[4] = 1.0/t;
     *  tt[5] = 1.0/(t*t);
     *  tt[6] = std::log(t);
     *
     * @param temp    Temperature (Kelvin)
     * @param cp_R    Vector of Dimensionless heat capacities.
     *                (length m_kk).
     * @param h_RT    Vector of Dimensionless enthalpies.
     *                (length m_kk).
     * @param s_R     Vector of Dimensionless entropies.
     *                (length m_kk).
     */
    virtual void updatePropertiesTemp(const doublereal temp, 
                                      doublereal* cp_R, doublereal* h_RT, 
                                      doublereal* s_R) const;

    //!This utility function reports back the type of 
    //! parameterization and all of the parameters for the 
    //! species, index.
    /*!
     * All parameters are output variables
     *
     * @param n         Species index
     * @param type      Integer type of the standard type
     * @param tlow      output - Minimum temperature
     * @param thigh     output - Maximum temperature
     * @param pref      output - reference pressure (Pa).
     * @param coeffs    Vector of coefficients used to set the
     *                  parameters for the standard state.
     *      There are 1 + 11*nzones coefficients
     *      coeffs[0] is equal to nTempZones.
     *      index = 1
     *      for each zone:
     *        coeffs[index] = minTempZone
     *        coeffs[index+1] = maxTempZone
     *        coeffs[index+2+i] from i =0,9 are the coefficients themselves
     */
    virtual void reportParameters(int &n, int &type,
                                  doublereal &tlow, doublereal &thigh,
                                  doublereal &pref,
                                  doublereal* const coeffs) const;

    //! Modify parameters for the standard state
    /*!
     * @param coeffs   Vector of coefficients used to set the
     *                 parameters for the standard state.
     */
    virtual void modifyParameters(doublereal* coeffs);

  protected:
    //! lowest valid temperature
    doublereal m_lowT;    
    //! highest valid temperature
    doublereal m_highT;   
    //! standard-state pressure
    doublereal m_Pref;     
    //! species index
    int m_index;  
    //! Number of temperature regions
    int m_numTempRegions;
    
    //! Lower boundaries of each temperature regions
    vector_fp m_lowerTempBounds;

    //! pointers to the objects
    /*!
     * This object will now own these pointers and delete
     * them when the current object is deleted.
     */
    std::vector<Nasa9Poly1 *>m_regionPts;

    //! current region
    mutable int m_currRegion;
  };

}
#endif