Package etomica.statmech

Class HardSphereFluid

java.lang.Object

etomica.statmech.HardSphereFluid

public class HardSphereFluid
extends java.lang.Object

Computes EOS for HS fluid. Uses exponential of a polynomial with low order terms take from virial coefficients and high order terms fit to simulation data. The fitted terms take a different form that allows them to more efficiently describe the high-density behavior.

Field Summary

Fields

Modifier and Type	Field	Description
static double	a
static double[]	NexpStretchFit
static double[]	NexpVirial

Constructor Summary

Constructors

Constructor	Description
HardSphereFluid()

Method Summary

Modifier and Type	Method	Description
static double	Asolid(double rho)	Returns the difference between absolute free energies between the given densities for solid (FCC) hard spheres.
static double	Asolid(double rho, int n)	Returns the difference between absolute free energies between the given densities for solid (FCC) hard spheres.
static double	zFluid(double rho)	Computes Z using the following equation Z = exp([Ni * rho^(i-1)] + rho^11 [Mi x^i]) where x = a^rho

Methods inherited from class java.lang.Object

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

Field Detail

NexpVirial

public static final double[] NexpVirial

NexpStretchFit

public static final double[] NexpStretchFit

a

public static final double a

See Also:

Constant Field Values

Constructor Detail

HardSphereFluid

public HardSphereFluid()

Method Detail

zFluid

public static double zFluid(double rho)

Computes Z using the following equation Z = exp([Ni * rho^(i-1)] + rho^11 [Mi x^i]) where x = a^rho

Parameters:

rho -

Returns:

Z

Asolid

public static double Asolid(double rho)

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:

rho - Density

Returns:

Absolute free energy difference

Asolid

public static double Asolid(double rho,
                            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:

rho - Density

n - number of points

Returns:

Absolute free energy difference