edu.davidson.chm.equilibria
Class Solution

java.lang.Object
  |
  +--edu.davidson.chm.equilibria.Phase
        |
        +--edu.davidson.chm.equilibria.Solution

Direct Known Subclasses:

AqueousSolution

public class Solution

extends Phase

Creates a solution phase.

Copyright 2000-2001 David N. Blauch

Version:

1.2

Author:

David N. Blauch

Field Summary

protected Species	acid
protected Reaction	autodissociation
protected Species	base
protected Species	solvent

Fields inherited from class edu.davidson.chm.equilibria.Phase

autoChargeBalance, chemSystem, density, dielectricConstant, isProtic, label, physState, species, volume

Constructor Summary

Solution()

Solution(java.lang.String _label, ChemSystem _chemSystem, ChemSpecies _chemSpecies)
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species that constitutes the solvent.

Solution(java.lang.String _label, ChemSystem _chemSystem, ChemSpecies _chemSpecies, ChemSpecies _acid, ChemSpecies _base, double _Kauto)
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent.

Solution(java.lang.String _label, ChemSystem _chemSystem, ChemSpecies _chemSpecies, double _Kauto)
The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent.

Method Summary

Phase	copyOf(ChemSystem _chemSystem) Creates a copy of this phase and places it in the indicated ChemSystem.
Species	getAcid() Returns the conjugate acid of the solvent for a solution with a protic solvent.
Reaction	getAutodissociation() Returns the autodissociation reaction for this solution, if the solvent is protic.
Species	getBase() Returns the conjugate base of the solvent for a solution with a protic solvent.
java.lang.String	getInfo() Returns information about this class
double	getIonicStrength() Returns the ionic strength (mole/L) for the solution.
double	getpH() Returns the pH value for a protic solution.
double	getpOH() Returns the pOH value for a protic solution.
double	getPressure() Returns the pressure of the solution, which is the same as the system pressure.
Species	getSolvent() Returns the solvent species of a solution.
double	getVolume() Returns the volume of the phase in liters
void	scale(double _factor) Scales the amount of the phase.
void	setDensity(double _density) Sets the density of the solution.
void	setMass(double _mass) Sets the mass of the solvent.
void	setVolume(double _volume) Sets the volume of the solution.

Methods inherited from class edu.davidson.chm.equilibria.Phase

addSpecies, addSpecies, addSpecies, createSpecies, createSpecies, getAutoChargeBalance, getChemSystem, getDensity, getDielectricConstant, getEDHEa, getEDHEb, getIsProtic, getLabel, getMass, getMoles, getNbrSpecies, getPhysicalState, getPressure, getSpecies, getSpecies, getSpecies, getSpeciesAt, removeSpecies, removeSpecies, setAutoChargeBalance, setDielectricConstant, setLabel

Methods inherited from class java.lang.Object

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

Field Detail

acid

protected Species acid

base

protected Species base

solvent

protected Species solvent

autodissociation

protected Reaction autodissociation

Constructor Detail

Solution

public Solution()

Solution

public Solution(java.lang.String _label,
                ChemSystem _chemSystem,
                ChemSpecies _chemSpecies)

The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species that constitutes the solvent. This constructor assumes the solvent is aprotic.

Solution

public Solution(java.lang.String _label,
                ChemSystem _chemSystem,
                ChemSpecies _chemSpecies,
                double _Kauto)

The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent. This constructor assumes the solvent is protic and the user-supplied autodissociation constant is used to construct the autodissociation reaction. If the solvent has label "solv", the conjugate acid species has label "acid_solv" and the conjugate base species has label "base_solv".

Solution

public Solution(java.lang.String _label,
                ChemSystem _chemSystem,
                ChemSpecies _chemSpecies,
                ChemSpecies _acid,
                ChemSpecies _base,
                double _Kauto)

The minimal requirements for defining a Solution phase are a descriptive label, the chemical system containing the phase, and the chemical species the constitutes the solvent. This constructor assumes the solvent is protic and the user-supplied autodissociation constant is used to construct the autodissociation reaction. The conjugate acid and base ChemSpecies are supplied by the user.

Method Detail

copyOf

public Phase copyOf(ChemSystem _chemSystem)

Creates a copy of this phase and places it in the indicated ChemSystem.

Overrides:

copyOf in class Phase

getAcid

public Species getAcid()

Returns the conjugate acid of the solvent for a solution with a protic solvent. If the phase is not a solution with a protic solvent, null is returned.

Overrides:

getAcid in class Phase

getAutodissociation

public Reaction getAutodissociation()

Returns the autodissociation reaction for this solution, if the solvent is protic. If the solvent is aprotic, null is returned.

getBase

public Species getBase()

Returns the conjugate base of the solvent for a solution with a protic solvent. If the phase is not a solution with a protic solvent, null is returned.

Overrides:

getBase in class Phase

getInfo

public java.lang.String getInfo()

Returns information about this class

Overrides:

getInfo in class Phase

getIonicStrength

public double getIonicStrength()

Returns the ionic strength (mole/L) for the solution.

Overrides:

getIonicStrength in class Phase

getpH

public double getpH()

Returns the pH value for a protic solution. If the solution is aprotic, a value of zero is returned.

Overrides:

getpH in class Phase

getpOH

public double getpOH()

Returns the pOH value for a protic solution. If the solution is aprotic, a value of zero is returned.

Overrides:

getpOH in class Phase

getPressure

public double getPressure()

Returns the pressure of the solution, which is the same as the system pressure. (This property is NOT the vapor pressure of the solvent.)

Overrides:

getPressure in class Phase

getSolvent

public Species getSolvent()

Returns the solvent species of a solution. For other phases null is returned.

Overrides:

getSolvent in class Phase

scale

public void scale(double _factor)

Description copied from class: Phase

Scales the amount of the phase. If the factor is two, for example, the moles of each species is doubled. The method effectively creates more or less of the phase without altering the molar concentrations of the species

Overrides:

scale in class Phase

Tags copied from class: Phase

Parameters:

_factor - scaling factor

setDensity

public void setDensity(double _density)

Sets the density of the solution. The volume of the liquid is adjusted to be consistent with the mass and the density.

Overrides:

setDensity in class Phase

Parameters:

_density - density in grams per milliliter

getVolume

public double getVolume()

Returns the volume of the phase in liters

Overrides:

getVolume in class Phase

setMass

public void setMass(double _mass)

Sets the mass of the solvent. The volume of the solution is adjusted to be consistent with the mass of the solvent and density. The amounts of analytes are not affected.

Overrides:

setMass in class Phase

Parameters:

_mass - mass in grams

setVolume

public void setVolume(double _volume)

Sets the volume of the solution. The density is used to calculate a new mass for the solvent. The masses of solutes are taken into account in computing the mass of the solvent.

Overrides:

setVolume in class Phase

Parameters:

_volume - volume in liters