Package etomica.veos

Class QSeries

java.lang.Object

etomica.veos.QSeries

public class QSeries
extends java.lang.Object

Fluid properties based on direct expansion of the canonical partition function Q in terms of irreducible cluster integrals beta. Values of beta integrals are given by BetaSource instance associated with this class.

Constructor Summary

Constructors

Constructor	Description
QSeries(BetaSource bs)

Method Summary

Modifier and Type	Method	Description
double	bCalc(int j)	Computes the coefficient b_j based on the beta coefficients given by the BetaSource.
double[]	coeffQ(int N)	Computes coefficients of the polynomial in volume for Q for the given N.
static void	main(java.lang.String[] args)
double[]	pCalc(int N, double[] rho, double T)	Computes the pressure via dlnQ/dV based on the volume series for Q given by coeffQ.
double[]	qCalc(int N, double[] rho)	Computes Q * N!/V^N based on the volume series for Q given by qCalc.

Methods inherited from class java.lang.Object

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

Constructor Detail

QSeries

public QSeries(BetaSource bs)

Method Detail

bCalc

public double bCalc(int j)

Computes the coefficient b_j based on the beta coefficients given by the BetaSource.

coeffQ

public double[] coeffQ(int N)

Computes coefficients of the polynomial in volume for Q for the given N.

Returns:

An array qC, such that qC[k] is the coefficient of V^(k+1) for the Q series in volume

qCalc

public double[] qCalc(int N,
                      double[] rho)

Computes Q * N!/V^N based on the volume series for Q given by qCalc. Evaluates partition function for a set of densities given by the input rho, and returns Q/V^N for each density as the corresponding element in the return array.

pCalc

public double[] pCalc(int N,
                      double[] rho,
                      double T)

Computes the pressure via dlnQ/dV based on the volume series for Q given by coeffQ. Evaluates pressure for a set of densities given by the input rho, and returns the pressure for each density as the corresponding element in the return array.

Parameters:

T - temperature, given simply to yield the pressure as T * dlnQ/dV

main

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