flanagan.physchem

Class Donnan

java.lang.Object

flanagan.physchem.Donnan

public class Donnan
extends java.lang.Object

Constructor Summary

Constructors

Constructor and Description
Donnan()

Method Summary

Modifier and Type	Method and Description
double	BornChargingEnergy(double radius, double charge, double epsilon)
void	calcConcnsMultiK(double potential)
void	calcConcnsSingleK(double potential)
double	calcPotential()
double[]	getComplex()
double[]	getConcnA()
double[]	getConcnB()
double	getDebyeLengthA()
double	getDebyeLengthB()
double[]	getDeltaMu0()
double	getDiffuseLayerCapacitanceA()
double	getDiffuseLayerCapacitanceB()
double	getDiffuseLayerPotentialA()
double	getDiffuseLayerPotentialB()
double	getDonnanCapacitanceB()
double	getDonnanPotential()
double[]	getExcessComplex()
double[]	getExcessConcnA()
double[]	getExcessConcnB()
double	getInterfaceCharge()
double	getInterfaceChargeDensity()
double	getMinimum()
double[]	getPartitionCoefficients()
double[]	getPartitionCoefficientsZero()
double[]	getRatioA()
double[]	getRatioB()
double[]	getRatioComplex()
double	getSternCapacitance()
double	getSternLayerPotential()
double	getSternThicknessA()
double	getSternThicknessB()
void	ignoreInterfaceCharge()
void	includeInterfaceCharge()
void	ionConcns(double potential)
void	printToFile()
void	printToFile(java.lang.String title)
void	setBareRadii()
void	setEstimate(double pot)
void	setHydratedRadii()
void	setIon(double partCoeff, java.lang.String ion, double concnA, double concnB)
void	setIon(double partCoeff, java.lang.String ion, double concnA, double concnB, double assocK)
void	setIon(double partCoeff, java.lang.String ion, double concnA, double concnB, double assocK, double radius, int charge)
void	setIon(double partCoeff, java.lang.String ion, double concnA, double concnB, double radius, int charge)
void	setIon(java.lang.String ion, double concnA, double concnB)
void	setIon(java.lang.String ion, double concnA, double concnB, double assocK)
void	setIon(java.lang.String ion, double concnA, double concnB, double assocK, double radius, int charge)
void	setIon(java.lang.String ion, double concnA, double concnB, double radius, int charge)
void	setIonophore(double concn)
void	setIonophore(double concn, double radius)
void	setIonophore(java.lang.String ionophore, double concn)
void	setIonophore(java.lang.String ionophore, double concn, double radius)
void	setMaxIterations(int nMax)
void	setRelPerm(double epsA, double epsB)
void	setRelPerm(double epsA, double epsB, double epsSternA, double epsSternB)
void	setStep(double step)
void	setTemp(double temp)
void	setTolerance(double tol)
void	setVolumes(double volA, double volB)
void	setVolumes(double volA, double volB, double area)

Methods inherited from class java.lang.Object

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

Constructor Detail

Donnan

public Donnan()

Method Detail

setHydratedRadii

public void setHydratedRadii()

setBareRadii

public void setBareRadii()

ignoreInterfaceCharge

public void ignoreInterfaceCharge()

includeInterfaceCharge

public void includeInterfaceCharge()

setIon

public void setIon(java.lang.String ion,
                   double concnA,
                   double concnB,
                   double assocK,
                   double radius,
                   int charge)

setIon

public void setIon(double partCoeff,
                   java.lang.String ion,
                   double concnA,
                   double concnB,
                   double assocK,
                   double radius,
                   int charge)

setIon

public void setIon(java.lang.String ion,
                   double concnA,
                   double concnB,
                   double radius,
                   int charge)

setIon

public void setIon(double partCoeff,
                   java.lang.String ion,
                   double concnA,
                   double concnB,
                   double radius,
                   int charge)

setIon

public void setIon(java.lang.String ion,
                   double concnA,
                   double concnB,
                   double assocK)

setIon

public void setIon(double partCoeff,
                   java.lang.String ion,
                   double concnA,
                   double concnB,
                   double assocK)

setIon

public void setIon(java.lang.String ion,
                   double concnA,
                   double concnB)

setIon

public void setIon(double partCoeff,
                   java.lang.String ion,
                   double concnA,
                   double concnB)

setIonophore

public void setIonophore(double concn,
                         double radius)

setIonophore

public void setIonophore(java.lang.String ionophore,
                         double concn,
                         double radius)

setIonophore

public void setIonophore(java.lang.String ionophore,
                         double concn)

setIonophore

public void setIonophore(double concn)

setVolumes

public void setVolumes(double volA,
                       double volB,
                       double area)

setVolumes

public void setVolumes(double volA,
                       double volB)

setRelPerm

public void setRelPerm(double epsA,
                       double epsB,
                       double epsSternA,
                       double epsSternB)

setRelPerm

public void setRelPerm(double epsA,
                       double epsB)

setTemp

public void setTemp(double temp)

setEstimate

public void setEstimate(double pot)

setStep

public void setStep(double step)

setTolerance

public void setTolerance(double tol)

setMaxIterations

public void setMaxIterations(int nMax)

getDonnanPotential

public double getDonnanPotential()

getDiffuseLayerPotentialA

public double getDiffuseLayerPotentialA()

getDiffuseLayerPotentialB

public double getDiffuseLayerPotentialB()

getSternLayerPotential

public double getSternLayerPotential()

getConcnA

public double[] getConcnA()

getConcnB

public double[] getConcnB()

getComplex

public double[] getComplex()

getExcessConcnA

public double[] getExcessConcnA()

getExcessConcnB

public double[] getExcessConcnB()

getExcessComplex

public double[] getExcessComplex()

getRatioA

public double[] getRatioA()

getRatioB

public double[] getRatioB()

getRatioComplex

public double[] getRatioComplex()

getPartitionCoefficients

public double[] getPartitionCoefficients()

getPartitionCoefficientsZero

public double[] getPartitionCoefficientsZero()

getDeltaMu0

public double[] getDeltaMu0()

getInterfaceCharge

public double getInterfaceCharge()

getInterfaceChargeDensity

public double getInterfaceChargeDensity()

getSternCapacitance

public double getSternCapacitance()

getDiffuseLayerCapacitanceA

public double getDiffuseLayerCapacitanceA()

getDiffuseLayerCapacitanceB

public double getDiffuseLayerCapacitanceB()

getDonnanCapacitanceB

public double getDonnanCapacitanceB()

getSternThicknessA

public double getSternThicknessA()

getSternThicknessB

public double getSternThicknessB()

getDebyeLengthA

public double getDebyeLengthA()

getDebyeLengthB

public double getDebyeLengthB()

getMinimum

public double getMinimum()

calcPotential

public double calcPotential()

BornChargingEnergy

public double BornChargingEnergy(double radius,
                                 double charge,
                                 double epsilon)

ionConcns

public void ionConcns(double potential)

calcConcnsSingleK

public void calcConcnsSingleK(double potential)

calcConcnsMultiK

public void calcConcnsMultiK(double potential)

printToFile

public void printToFile(java.lang.String title)

printToFile

public void printToFile()