sandbox/ecipriano/src/opensmoke/properties.h

    OpenSMOKE++ Properties

    We compute the material properties of a mixture using the OpenSMOKE++ library.

    #include "opensmoke.h"
#include "variable-properties.h"

#define VARIABLE_PROPERTIES 1

    Properties Functions

    Functions for the update of the density, given the thermodynamic state.

    opensmoke_gasprop_density(): gas phase density according to the ideal gas low

    double opensmoke_gasprop_density (void * p) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  double MWmix = OpenSMOKE_MolecularWeight_From_MoleFractions (ts->x);
  return OpenSMOKE_GasProp_Density_IdealGas (ts->T, ts->P, MWmix);
}

    opensmoke_gasprop_viscosity(): gas phase dynamic viscosity

    double opensmoke_gasprop_viscosity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  return OpenSMOKE_GasProp_DynamicViscosity (ts->x);
}

    opensmoke_gasprop_thermalconductivity(): gas phase thermal conductivity

    double opensmoke_gasprop_thermalconductivity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  return OpenSMOKE_GasProp_ThermalConductivity (ts->x);
}

    opensmoke_gasprop_heatcapacity(): gas phase specific heat capacity

    double opensmoke_gasprop_heatcapacity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  return OpenSMOKE_GasProp_HeatCapacity (ts->x);
}

    opensmoke_gasprop_heatcapacity_species(): gas phase species heat capacity

    void opensmoke_gasprop_heatcapacity_species (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  OpenSMOKE_GasProp_HeatCapacity_PureSpecies (r);
}

    opensmoke_gasprop_diff(): diffusion coefficient of a species in gas phase

    void opensmoke_gasprop_diff (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  OpenSMOKE_GasProp_Dmix (ts->x, r);
}

    opensmoke_liqprop_density_addvol(): liquid phase mixture density with the additive volume method

    double opensmoke_liqprop_density_addvol (void * p) {
  ThermoState * ts = (ThermoState *)p;
  return OpenSMOKE_LiqProp_Density_Mix_AddVol (ts->T, ts->P, ts->x);
}

    opensmoke_liqprop_viscosity(): liquid phase mixture dynamic viscosity

    double opensmoke_liqprop_viscosity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  return OpenSMOKE_LiqProp_DynamicViscosity_Mix (ts->T, ts->x);
}

    opensmoke_liqprop_thermalconductivity(): liquid phase mixture thermal conductivity

    double opensmoke_liqprop_thermalconductivity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  return OpenSMOKE_LiqProp_ThermalConductivity_Mix (ts->T, ts->x);
}

    opensmoke_liqprop_heatcapacity(): liquid phase mixture specific heat capacity

    double opensmoke_liqprop_heatcapacity (void * p) {
  ThermoState * ts = (ThermoState *)p;
  return OpenSMOKE_LiqProp_HeatCapacity_Mix (ts->T, ts->x);
}

    opensmoke_liqprop_heatcapacity_species(): liquid phase species heat capacity

    void opensmoke_liqprop_heatcapacity_species (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  for (unsigned int i = 0; i < OpenSMOKE_NumberOfLiquidSpecies(); i++) {
    const char* name = OpenSMOKE_NamesOfLiquidSpecies (i);
    int len = strlen (name);
    char corrname[len+1];
    strcpy (corrname, name);
    corrname[3 <= len ? len-3 : 0] = '\0';
    r[i] = OpenSMOKE_LiqProp_HeatCapacity_PureSpecies (corrname, ts->T);
  }
}

    opensmoke_liqprop_dhev(): vapor pressure of the chemical species

    void opensmoke_liqprop_dhev (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  for (unsigned int i = 0; i < OpenSMOKE_NumberOfLiquidSpecies(); i++) {
    const char* name = OpenSMOKE_NamesOfLiquidSpecies (i);
    int len = strlen (name);
    char corrname[len+1];
    strcpy (corrname, name);
    corrname[3 <= len ? len-3 : 0] = '\0';
    r[i] = OpenSMOKE_LiqProp_VaporizationEnthalpy (corrname, ts->T);
  }
}

    opensmoke_liqprop_sigma(): surface tension of the chemical species

    void opensmoke_liqprop_sigma (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  for (unsigned int i = 0; i < OpenSMOKE_NumberOfLiquidSpecies(); i++) {
    const char* name = OpenSMOKE_NamesOfLiquidSpecies (i);
    int len = strlen (name);
    char corrname[len+1];
    strcpy (corrname, name);
    corrname[3 <= len ? len-3 : 0] = '\0';
    r[i] = OpenSMOKE_LiqProp_Sigma (corrname, ts->T);
  }
}

    opensmoke_liqprop_diff_pg(): diffusion coefficient of a species in liquid phase (Perkins Geankopolis)

    void opensmoke_liqprop_diff_pg (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  OpenSMOKE_LiqProp_Dmix_PerkinsGeankopolis (ts->T, ts->P, ts->x, r);
}

    opensmoke_liqprop_diff_c(): diffusion coefficient of a species in liquid phase (Cullinan)

    void opensmoke_liqprop_diff_c (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  OpenSMOKE_LiqProp_Dmix_Cullinan (ts->T, ts->P, ts->x, r);
}

    opensmoke_liqprop_diff_lc(): diffusion coefficient of a species in liquid phase (Leffler Cullinan)

    void opensmoke_liqprop_diff_lc (void * p, double * r) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  OpenSMOKE_LiqProp_Dmix_LefflerCullinan (ts->T, ts->P, ts->x, r);
}

    opensmoke_liqprop_pvap(): vapor pressure of the chemical species

    double opensmoke_liqprop_pvap (void * p, int i) {
  ThermoState * ts = (ThermoState *)p;
  const char* name = OpenSMOKE_NamesOfLiquidSpecies (i);
  int len = strlen (name);
  char corrname[len+1];
  strcpy (corrname, name);
  corrname[3 <= len ? len-3 : 0] = '\0';
  return OpenSMOKE_LiqProp_VaporPressure (corrname, ts->T, ts->P);
}

    opensmoke_antoine(): implementation of the antoine function using opensmoke

    double opensmoke_antoine (double T, double P, int i) {
  ThermoState ts;
  ts.T = T, ts.P = P;
  return opensmoke_liqprop_pvap (&ts, i)/P;
}

    opensmoke_gasprop_thermal_expansion(): gas thermal expansion coefficient

    double opensmoke_gasprop_thermal_expansion (const void * p, void * s) {
  ThermoState * ts = (ThermoState *)s;
  return (ts->T > 0.) ? 1./ts->T : 0.;
}

    opensmoke_gasprop_species_expansion(): gas species expansion coefficient

    void opensmoke_gasprop_species_expansion (const void * p, void * s, double * r) {
  ThermoState * ts = (ThermoState *)s;

  double MWmix = OpenSMOKE_MolecularWeight_From_MoleFractions (ts->x);
  for (unsigned int i = 0; i < OpenSMOKE_NumberOfSpecies(); i++) {
    r[i] = MWmix / OpenSMOKE_MW (i);
  }
}

    opensmoke_liqprop_thermal_expansion(): liq thermal expansion coefficient

    double opensmoke_liqprop_thermal_expansion (const void * p, void * s) {
  ThermoProps * tp = (ThermoProps *)p;
  ThermoState * ts = (ThermoState *)s;

  double epsT = 1.e-3;
  double Ttop = ts->T + epsT, Tbot = ts->T - epsT;
  ThermoState tstop, tsbot;
  tstop.T = Ttop, tstop.P = ts->P, tstop.x = ts->x;
  tsbot.T = Tbot, tsbot.P = ts->P, tsbot.x = ts->x;
  double rhotop = tp->rhov (&tstop), rhobot = tp->rhov (&tsbot);
  double rhoval = tp->rhov (ts);
  return (rhoval > 0.) ? -1./rhoval*(rhotop - rhobot)/(2.*epsT) : 0.;
}

    opensmoke_liqprop_species_expansion(): liq species expansion coefficient

    void opensmoke_liqprop_species_expansion (const void * p, void * s, double * r)
{
  for (unsigned int i = 0; i < OpenSMOKE_NumberOfLiquidSpecies(); i++)
    r[i] = 0.;  // fixme: empty
}

    Thermodynamic Properties

    We create the instance of two structures with the thermodynamic properties, tp1 for the liquid phase and tp2 for the gas phase. The same nomenclature is used for the thermodynamic states.

    ThermoProps tp1, tp2;

    Initialization

    We set the thermodynamic properties function pointers to the specific opensmoke functions declared above.

    event defaults (i = 0) {

    We set the thermodynamic properties functions to the correct opensmoke functions that compute material properties.