Heed::VanDerWaals Class Reference

Helper class for Van-der-Waals equation. More...

#include <MoleculeDef.h>

Public Member Functions
	VanDerWaals (double fPk, double fTk)
double	a () const
double	b () const
double	Vk () const
double	Pk () const
double	Tk () const
double	volume_of_mole (double T, double p, int &s_not_single)
VanDerWaals *	copy () const

Detailed Description

Helper class for Van-der-Waals equation.

Definition at line 10 of file MoleculeDef.h.

Constructor & Destructor Documentation

VanDerWaals()

Heed::VanDerWaals::VanDerWaals	(	double	fPk,
		double	fTk )

Definition at line 20 of file MoleculeDef.cpp.

                                               : Pkh(fPk), Tkh(fTk) {
  // Rydberg constant
  const double R = k_Boltzmann * Avogadro;
 
  Vkh = R * 3.0 / 8.0 * Tkh / Pkh;
  ah = 3 * Pkh * Vkh * Vkh;
  bh = 1.0 / 3.0 * Vkh;
}

Referenced by copy().

Member Function Documentation

a()

double Heed::VanDerWaals::a ( ) const

inline

Definition at line 20 of file MoleculeDef.h.

{ return ah; }

Referenced by Heed::operator<<().

b()

double Heed::VanDerWaals::b ( ) const

inline

Definition at line 21 of file MoleculeDef.h.

{ return bh; }

Referenced by Heed::operator<<().

copy()

VanDerWaals * Heed::VanDerWaals::copy

(

)

const

Definition at line 46 of file MoleculeDef.cpp.

{ return new VanDerWaals(*this); }

Pk()

double Heed::VanDerWaals::Pk ( ) const

inline

Definition at line 23 of file MoleculeDef.h.

{ return Pkh; }

Referenced by Heed::operator<<().

Tk()

double Heed::VanDerWaals::Tk ( ) const

inline

Definition at line 24 of file MoleculeDef.h.

{ return Tkh; }

Referenced by Heed::operator<<().

Vk()

double Heed::VanDerWaals::Vk ( ) const

inline

Definition at line 22 of file MoleculeDef.h.

{ return Vkh; }

Referenced by Heed::operator<<().

volume_of_mole()

double Heed::VanDerWaals::volume_of_mole	(	double	T,
		double	p,
		int &	s_not_single )

Definition at line 29 of file MoleculeDef.cpp.

                                                                        {
  mfunname("VanDerWaals::volume_of_mole(...)");
 
  double Tr = T / Tkh;
  double Pr = p / Pkh;
  Iprint2n(mcout, Tr, Pr);
  Cubic cb(Pr, -1.0 / 3.0 * (Pr + 8 * Tr), 3, -1);
  double r[3];
  int q = cb.find_real_zero(r);
  check_econd11(q, <= 0, mcerr);
  double x = r[q - 1];   // this is the relative volume taken by one mole
  double res = x * Vkh;  // this is the absolute volume taken by one mole
  Iprint2n(mcout, x, res);
  s_not_single = q == 2 ? 1 : 0;
  return res;
}

Referenced by Heed::GasDef::GasDef().

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The documentation for this class was generated from the following files:

• MoleculeDef.h
• MoleculeDef.cpp