opensmoke-properties.h

OpenSMOKE++ Properties

OpenSMOKE++ Properties

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

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

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

double opensmoke_gasprop_heatcapacity_species (void * p, int i) {
  ThermoState * ts = (ThermoState *)p;
  OpenSMOKE_GasProp_SetTemperature (ts->T);
  OpenSMOKE_GasProp_SetPressure (ts->P);
  double Cps[OpenSMOKE_NumberOfSpecies()];
  OpenSMOKE_GasProp_HeatCapacity_PureSpecies (Cps);
  return Cps[i];
}

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

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

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

double opensmoke_liqprop_heatcapacity_species (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_HeatCapacity_PureSpecies (corrname, ts->T);
}

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_liqprop_dhev(): vapor pressure of the chemical species

double opensmoke_liqprop_dhev (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_VaporizationEnthalpy (corrname, ts->T);
}

opensmoke_liqprop_sigma(): surface tension of the chemical species

double opensmoke_liqprop_sigma (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_Sigma (corrname, ts->T);
}

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

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

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

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

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

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

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;
}

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;
ThermoState ts1, ts2;

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.

  tp1.rhov    = opensmoke_liqprop_density_addvol;
  tp1.muv     = opensmoke_liqprop_viscosity;
  tp1.lambdav = opensmoke_liqprop_thermalconductivity;
  tp1.cpv     = opensmoke_liqprop_heatcapacity;
  tp1.pvap    = opensmoke_liqprop_pvap;
  tp1.dhev    = opensmoke_liqprop_dhev;
  tp1.diff    = opensmoke_liqprop_diff_lc;
  tp1.cps     = opensmoke_liqprop_heatcapacity_species;
  tp1.sigmas  = opensmoke_liqprop_sigma;

  tp2.rhov    = opensmoke_gasprop_density;
  tp2.muv     = opensmoke_gasprop_viscosity;
  tp2.lambdav = opensmoke_gasprop_thermalconductivity;
  tp2.cpv     = opensmoke_gasprop_heatcapacity;
  tp2.diff    = opensmoke_gasprop_diff;
  tp2.cps     = opensmoke_gasprop_heatcapacity_species;
}