edu.davidson.chm.equilibria
Class Solution

java.lang.Object
  extended by edu.davidson.chm.equilibria.Phase
      extended by edu.davidson.chm.equilibria.Solution
All Implemented Interfaces:
PhysicalConstants
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
 
Fields inherited from interface edu.davidson.chm.equilibria.PhysicalConstants
F, k, No, perm, qe, R, RJ
 
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
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

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.

Specified by:
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.

Specified by:
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.

Specified by:
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.

Specified by:
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.)

Specified by:
getPressure in class Phase

getSolvent

public Species getSolvent()
Returns the solvent species of a solution. For other phases null is returned.

Specified by:
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
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.

Specified by:
setDensity in class Phase
Parameters:
_density - density in grams per milliliter

getVolume

public double getVolume()
Returns the volume of the phase in liters

Specified by:
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.

Specified by:
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.

Specified by:
setVolume in class Phase
Parameters:
_volume - volume in liters