Package etomica.statmech

Class HardSphere

java.lang.Object

etomica.statmech.HardSphere

public class HardSphere
extends java.lang.Object

Hard sphere properties based on the Hall EOS.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	sqrt2

Constructor Summary

Constructors

Constructor	Description
HardSphere()

Method Summary

Modifier and Type	Method	Description
double	deltaA(double rho1, double rho2, int n)	Returns the difference between absolute free energies between the given densities for solid (FCC) hard spheres.
double	idFreeEnergy(double rho)	Returns the ideal gas free energy for the given density.
protected double	integrand(double rho)
static void	main(java.lang.String[] args)
double	zSolid(double rho)	Returns the compressibility factor for solid (FCC) hard spheres at the given density.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

sqrt2

protected final double sqrt2

Constructor Detail

HardSphere

public HardSphere()

Method Detail

zSolid

public double zSolid(double rho)

Returns the compressibility factor for solid (FCC) hard spheres at the given density.

Parameters:

rho - Density of solid hard spheres

Returns:

z Compressibility

integrand

protected double integrand(double rho)

deltaA

public double deltaA(double rho1,
                     double rho2,
                     int n)

Returns the difference between absolute free energies between the given densities for solid (FCC) hard spheres. The result is computed using numeric integration with n points.

Parameters:

rho1 - Density of solid 1

rho2 - Density of solid 2

n - number of points

Returns:

Absolute free energy difference

idFreeEnergy

public double idFreeEnergy(double rho)

Returns the ideal gas free energy for the given density.

Parameters:

rho - Density of ideal gas

Returns:

Ideal Gas Free Energy

main

public static void main(java.lang.String[] args)