From 0dc32b6a61c0b38c5877e4691b5617b73d4feea3 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Fri, 1 Feb 2013 23:39:48 +0000 Subject: [PATCH] Removed duplicate header files introduced in r1978 --- src/equil/vcs_SpeciesProperties.h | 65 -------- src/equil/vcs_species_thermo.h | 264 ------------------------------ 2 files changed, 329 deletions(-) delete mode 100644 src/equil/vcs_SpeciesProperties.h delete mode 100644 src/equil/vcs_species_thermo.h diff --git a/src/equil/vcs_SpeciesProperties.h b/src/equil/vcs_SpeciesProperties.h deleted file mode 100644 index 07fdc5d23..000000000 --- a/src/equil/vcs_SpeciesProperties.h +++ /dev/null @@ -1,65 +0,0 @@ - -#ifndef VCS_SPECIES_PROPERTIES_H -#define VCS_SPECIES_PROPERTIES_H - -#include -#include - -namespace VCSnonideal -{ - -class VCS_SPECIES_THERMO; -class vcs_VolPhase; - -class vcs_SpeciesProperties -{ - -public: - size_t IndexPhase; - size_t IndexSpeciesPhase; - vcs_VolPhase* OwningPhase; - size_t NumElements; - - //! Name of the species - std::string SpName; - - VCS_SPECIES_THERMO* SpeciesThermo; /* Pointer to the thermo - structure for this species */ - double WtSpecies; /* Molecular Weight of the species (gm/mol) */ - - //! Column of the formula matrix, comprising the - //! element composition of the species */ - std::vector FormulaMatrixCol; - - double Charge; /* Charge state of the species -> This may - be duplication of what's in the - FormulaMatrixCol entries. However, it's prudent - to separate it out. */ - int SurfaceSpecies; /* True if this species belongs to a surface phase */ - /* - * Various Calculated Quantities that are appropriate to - * keep copies of at this level. - */ - double VolPM; /* Partial molar volume of the species */ - double ReferenceMoleFraction; /* Representative value of the mole - fraction of this species in a phase. - This value is used for convergence issues - and for calculation of numerical derivs */ - - /* - * constructor and destructor - */ - vcs_SpeciesProperties(size_t indexPhase, size_t indexSpeciesPhase, - vcs_VolPhase* owning); - virtual ~vcs_SpeciesProperties(); - - /* - * Copy constructor and assignment operator - */ - vcs_SpeciesProperties(const vcs_SpeciesProperties& b); - vcs_SpeciesProperties& operator=(const vcs_SpeciesProperties& b); -}; - -} - -#endif diff --git a/src/equil/vcs_species_thermo.h b/src/equil/vcs_species_thermo.h deleted file mode 100644 index f0b7cb3ef..000000000 --- a/src/equil/vcs_species_thermo.h +++ /dev/null @@ -1,264 +0,0 @@ - -/* - * Copyright (2005) Sandia Corporation. Under the terms of - * Contract DE-AC04-94AL85000 with Sandia Corporation, the - * U.S. Government retains certain rights in this software. - */ - -#ifndef VCS_SPECIES_THERMO_H -#define VCS_SPECIES_THERMO_H - -#include - -namespace VCSnonideal -{ - -class vcs_VolPhase; - -/*****************************************************************************/ -/*****************************************************************************/ -/*****************************************************************************/ -/* - * Models for the species standard state Naught temperature - * dependence - */ -#define VCS_SS0_NOTHANDLED -1 -#define VCS_SS0_CONSTANT 0 -//#define VCS_SS0_NASA_POLY 1 -#define VCS_SS0_CONSTANT_CP 2 - - -/* - * Models for the species standard state extra pressure dependence - * - */ -#define VCS_SSSTAR_NOTHANDLED -1 -#define VCS_SSSTAR_CONSTANT 0 -#define VCS_SSSTAR_IDEAL_GAS 1 - -/* - * Identifies the thermo model for the species - * This structure is shared by volumetric and surface species. However, - * each will have its own types of thermodynamic models. These - * quantities all have appropriate units. The units are specified by - * VCS_UnitsFormat. - */ -class VCS_SPECIES_THERMO -{ - /* - * All objects are public for ease of development - */ -public: - /** - * Index of the phase that this species belongs to. - */ - size_t IndexPhase; - - /** - * Index of this species in the current phase. - */ - size_t IndexSpeciesPhase; - - /** - * Pointer to the owning phase object. - */ - vcs_VolPhase* OwningPhase; - - /** - * Integer representing the models for the species standard state - * Naught temperature dependence. They are listed above and start - * with VCS_SS0_... - */ - int SS0_Model; - - /** - * Internal storage of the last calculation of the reference - * naught Gibbs free energy at SS0_TSave. - * (always in units of Kelvin) - */ - double SS0_feSave; - - /** - * Internal storage of the last temperature used in the - * calculation of the reference naught Gibbs free energy. - * units = kelvin - */ - double SS0_TSave; - - /** - * Base temperature used in the VCS_SS0_CONSTANT_CP - * model - */ - double SS0_T0; - - /** - * Base enthalpy used in the VCS_SS0_CONSTANT_CP - * model - */ - double SS0_H0; - - /** - * Base entropy used in the VCS_SS0_CONSTANT_CP - * model - */ - double SS0_S0; - - /** - * Base heat capacity used in the VCS_SS0_CONSTANT_CP - * model - */ - double SS0_Cp0; - - /** - * Value of the pressure for the reference state. - * defaults to 1.01325E5 = 1 atm - */ - double SS0_Pref; - /** - * Pointer to a list of parameters that is malloced for - * complicated reference state calculation. - */ - void* SS0_Params; - /** - * Integer value representing the star state model. - */ - int SSStar_Model; - - /** - * Pointer to a list of parameters that is malloced for - * complicated reference star state calculation. - */ - void* SSStar_Params; - - /** - * Integer value representing the activity coefficient model - * These are defined in vcs_VolPhase.h and start with - * VCS_AC_... - */ - int Activity_Coeff_Model; - - /** - * Pointer to a list of parameters that is malloced for - * activity coefficient models. - */ - void* Activity_Coeff_Params; - - /** - * Models for the standard state volume of each species - */ - int SSStar_Vol_Model; - - /** - * Pointer to a list of parameters that is malloced for - * volume models - */ - void* SSStar_Vol_Params; - - /** - * parameter that is used int eh VCS_SSVOL_CONSTANT model. - */ - double SSStar_Vol0; - - /** - * If true, this object will call Cantera to do its member - * calculations. - */ - bool UseCanteraCalls; - - int m_VCS_UnitsFormat; - /* - * constructor and destructor - */ - VCS_SPECIES_THERMO(size_t indexPhase, size_t indexSpeciesPhase); - virtual ~VCS_SPECIES_THERMO(); - - /* - * Copy constructor and assignment operator - */ - VCS_SPECIES_THERMO(const VCS_SPECIES_THERMO& b); - VCS_SPECIES_THERMO& operator=(const VCS_SPECIES_THERMO& b); - - /* - * Duplication function for inherited classes. - */ - virtual VCS_SPECIES_THERMO* duplMyselfAsVCS_SPECIES_THERMO(); - - /** - * This function calculates the standard state Gibbs free energy - * for species, kspec, at the temperature TKelvin and pressure, Pres. - * - * - * Input - * TKelvin = Temperature in Kelvin - * pres = pressure is given in units specified by if__ variable. - * - * - * Output - * return value = standard state free energy in units of Kelvin. - */ - virtual double GStar_R_calc(size_t kspec, double TKelvin, double pres); - - /** - * - * G0_calc: - * - * This function calculates the standard state Gibbs free energy - * for species, kspec, at the temperature TKelvin - * - * Input - * - * - * Output - * return value = standard state free energy in Kelvin. - */ - virtual double G0_R_calc(size_t kspec, double TKelvin); - - /** - * cpc_ts_VStar_calc: - * - * This function calculates the standard state molar volume - * for species, kspec, at the temperature TKelvin and pressure, Pres, - * - * - * Input - * - * - * Output - * return value = standard state volume in cm**3 per mol. - * (if__=3) m**3 / kmol - */ - virtual double VolStar_calc(size_t kglob, double TKelvin, double Pres); - - /** - * This function evaluates the activity coefficient - * for species, kspec - * - * Input - * kspec -> integer value of the species in the global - * species list within VCS_SOLVE. Phase and local species id - * can be looked up within object. - * - * Note, T, P and mole fractions are obtained from the - * single private instance of VCS_SOLVE - * - * - * - * Output - * return value = activity coefficient for species kspec - */ - virtual double eval_ac(size_t kspec); - - /** - * Get the pointer to the vcs_VolPhase object for this species. - */ - -}; - -/* Externals for vcs_species_thermo.c */ - -//extern double vcs_Gxs_phase_calc(vcs_VolPhase *, double *); -//extern double vcs_Gxs_calc(int iphase); - -} - -#endif