Specie Database Class

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Description

The SDB (Specie Data Base) class provides member functions for users to access the details of the species within a project. The user does not have to declare the SDB class before using it.

Data Members

None

Member Functions

The examples in the following table are all based upon a project containing the following species:

H2O(g), O2(g), N2(g)

H2O(l), H2SO4(aq), NaCl(aq), NiSO4(aq)

Fe2O3(s), Fe[OH]2(s), NiO(s)

RH2(org), RNi(org)

Call

Return Type

Parameters

Functionality

Example

Functions to return the total number (or count) of species or phases

SpecieCount( )

long

None

This returns the total number of species defined in the project configuration.

Numspecies = SDB.SpecieCount( )

Numspecies = 12

PhaseCount( )

long

None

This returns the total number of phases defined in the project configuration, normally 3 – solid, liquid and gas.

NumPhases = SDB.PhaseCount( )

NumPhases = 3

IPhaseCount( )

long

None

This returns the total number of Individual phases defined in the project configuration. This may be the same as above, i.e solids, liquids and gases, but often there are more such as aqueous, organic, slag, etc.

NumIPhases = SDB.IPhaseCount( )

NumIPhases = 5

Functions to return the index of a specified phase

SolidPhase( )

long

None

This returns the index of the solid phase for the project.

SolidIndex = SDB.SolidPhase( )

SolidIndex = 0

LiquidPhase( )

long

None

This returns the index of the liquid phase for the project.

LiquidIndex = SDB.LiquidPhase( )

LiquidIndex = 1

GasPhase( )

long

None

This returns the index of the gas phase for the project. This is normally 2.

GasIndex = SDB.GasPhase( )

GasIndex = 2

Functions to return the tag or symbol of a specified Phase

PhaseTag(PhIndex)

string

PhIndex is type long

This returns the tag of the required phase index.

RequiredPhase = SDB.PhaseTag(1)

RequiredPhase = "liquid"

IPhaseTag(IPhIndex)

string

IPhIndex is type long

This returns the tag of the required individual phase index.

ReqdIndPhase = SDB.IPhaseTag(4)

ReqdIndPhase = "aq"

PhaseSymbol(PhIndex)

string

PhIndex is type long

This returns the symbol of the required phase index.

RequiredPhase = SDB.PhaseSymbol(1)

RequiredPhase = "l"

IPhaseSymbol(IPhIndex)

string

IPhIndex is type long

This returns the symbol of the required phase index.

ReqdIndPhase = SDB.IPhaseSymbol(4)

ReqdIndPhase = "aq"

Functions to return the index of a specified specie or phase

FindSpecie(Symbol/Tag)

long

The user may specify either the specie symbol or tag

This returns the index of the required specie.

SpecieIndex = SDB.FindSpecie("H2O(l)") or

SpecieIndex = SDB.FindSpecie("Water(l)")

SpecieIndex = 3

FindPhase(PhaseName)

long

PhaseName is type string

This returns the index of the required phase.

PhaseIndex = SDB.FindPhase("s")

PhaseIndex = 0

FindIPhase(IPhaseName)

long

IPhaseName is type string

This returns the index of the required individual phase.

IndPhIndex = SDB.FindIPhase("aq")

IndPhIndex = 4

Functions to return the symbol or tag of a specie with a specified index

SpSymbol(SpIndex)

string

SpIndex is type long

This returns the symbol of the specie with the specified specie index.

SpecieSymbol = SDB.SpSymbol(3)

SpecieSymbol = "H2O(l)"

SpTag(SpIndex)

string

SpIndex is type long

This returns the tag of the specie with the specified specie index.

SpecieTag = SDB.SpTag(3)

SpecieTag = "Water(l)"

Functions to return the information about the phase or individual phase of a specie with a specified index

SpPhaseNo(SpIndex)

long

SpIndex is type long

This returns the index of the phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

SpPhIndex = SDB.SpPhaseNo(RNiIndex) or

SpPhIndex = SDB.SpPhaseNo(11)

SpPhIndex = 1

SpIPhaseNo(SpIndex)

long

SpIndex is type long

This returns the index of the individual phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

IndPhIndex = SDB.SpIPhaseNo(RNiIndex) or

IndPhIndex = SDB.SpIPhaseNo(11)

IndPhIndex = 5

SpPhaseTag(SpIndex)

string

SpIndex is type long

This returns the tag of the phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

PhaseName = SDB.SpPhaseTag(RNiIndex) or

PhaseName = SDB.SpPhaseTag(11)

PhaseName = "liquid"

SpIPhaseTag(SpIndex)

string

SpIndex is type long

This returns the tag of the individual phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

IndPhName = SDB.SpIPhaseTag(RNiIndex) or

IndPhName = SDB.SpIPhaseTag(11)

IndPhName = "org"

SpPhaseSymbol(SpIndex)

string

SpIndex is type long

This returns the symbol of the phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

PhaseSymbol = SDB.SpPhaseSymbol(RNiIndex) or

PhaseSymbol = SDB.SpPhaseSymbol(11)

PhaseSymbol = "l"

SpIPhaseSymbol(SpIndex)

string

SpIndex is type long

This returns the symbol of the individual phase with the specified specie index.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

IndPhSymbol = SDB.SpIPhaseSymbol(RNiIndex) or

IndPhSymbol = SDB.SpIPhaseSymbol(11)

IndPhSymbol = "org"

SpIsSolid(SpIndex)

bit

SpIndex is type long

This checks if a specie with the specified specie index is a solid and returns True if it is a solid, False otherwise.

FeOH2Index = SDB.FindSpecie("Fe[OH]2(s)") = 8

SolidSpecie = SDB.SpIsSolid(FeOH2Index) or

SolidSpecie = SDB.SpIsSolid(8)

SolidSpecie = True

SpIsLiquid(SpIndex)

bit

SpIndex is type long

This checks if a specie with the specified specie index is a liquid and returns True if it is a liquid, False otherwise.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

LiquidSpecie = SDB.SpIsLiquid(RNiIndex) or

LiquidSpecie = SDB.SpIsLiquid(11)

LiquidSpecie = True

SpIsGas(SpIndex)

bit

SpIndex is type long

This checks if a specie with the specified specie index is a gas and returns True if it is a gas, False otherwise.

RNiIndex = SDB.FindSpecie("RNi(org)") = 11

GasSpecie = SDB.SpIsGas(RNiIndex) or

GasSpecie = SDB.SpIsGas(11)

GasSpecie = False

Functions to return the information about a specie with a specified index

SpMolecularWt(SpIndex)

double

SpIndex is type long

This returns the molecular weight of the specie with the specified specie index.

O2Index = SDB.FindSpecie("O2(g)") = 1

O2MW = SDB.SpMolecularWt(O2Index) or

O2MW = SDB.SpMolecularWt(1)

O2MW = 31.999

SpDensity(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the density, in kg/m^3, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

H2ORho = SDB.SpDensity(H2OIndex,298.15,101.325) or

H2ORho = SDB.SpDensity(3,298.15,101.325)

H2ORho = 997.05 kg/m^3

SpmlHf(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the molecular heat of formation, in J/mol, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermlHf = SDB.SpmlHf(H2OIndex,298.15,101.325) or

WatermlHf = SDB.SpmlHf(3,298.15,101.325)

WatermlHf = -285830.72 J/mol

SpmsHf(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the mass heat of formation, in kJ/kg, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermsHf = SDB.SpmsHf(H2OIndex,298.15,101.325) or

WatermsHf = SDB.SpmsHf(3,298.15,101.325)

WatermsHf = -15866.02 kJ/kg

SpmlHz(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the molecular enthalpy (including phase change), in J/mol, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermlHz = SDB.SpmlHz(H2OIndex,298.15,101.325) or

WatermlHz = SDB.SpmlHz(3,298.15,101.325)

WatermlHz = 1888.47 J/mol

SpmsHz(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the mass enthalpy (including phase change), in kJ/kg, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermsHz = SDB.SpmsHz(H2OIndex,298.15,101.325) or

WatermsHz = SDB.SpmsHz(3,298.15,101.325)

WatermsHz = 104.83 kJ/kg

SpmlHs(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the molecular enthalpy (excluding phase change), in J/mol, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermlHs = SDB.SpmlHs(H2OIndex,298.15,101.325) or

WatermlHs = SDB.SpmlHs(3,298.15,101.325)

WatermlHs = 1888.47 J/mol

SpmsHs(SpIndex, temperature, pressure)

double

SpIndex is type long

temperature in degrees Kelvin

pressure in kPa

This returns the mass enthalpy (excluding phase change), in kJ/kg, of the specie with the specified specie index at the specified temperature and pressure.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WatermsHs = SDB.SpmsHs(H2OIndex,298.15,101.325) or

WatermsHs = SDB.SpmsHs(3,298.15,101.325)

WatermsHs = 104.83 kJ/kg

SpVapourP(SpIndex, temperature)

double

SpIndex is type long

temperature in degrees Kelvin

This returns the vapour pressure, in kPa, of the required specie at the specified temperature, in K.

Note: If the specie has no data for calculating the vapour pressure, this will return 0.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WaterVP = SDB.SpVapourP(H2OIndex,350) or

WaterVP = SDB.SpVapourP(3,350)

WaterVP = 41.68 kPa

SpVapourT(SpIndex, temperature)

double

SpIndex is type long

pressure in kPa (absolute)

This returns the vapour temperature, in degrees Kelvin, of the required specie at the specified pressure, in kPa.

Note: If the specie has no data for calculating the vapour temperature, this will return 0.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

WaterVT = SDB.SpVapourT(H2OIndex,101.13) or

WaterVT = SDB.SpVapourT(3,101.13)

WaterVT = 373.07 K

Functions related to elements

ElemAtmWeight(EleName)

double

EleName is string of required element

This returns the molecular weight of the specified element.

Weight = SDB.ElemAtmWeight("Ni")

Weight = 58.69

SpElemMoles(SpIndex, EleName)

double

SpIndex is type long, EleName is type string

This returns the number of moles of the specified element in the specified specie. Returns 0 if element is not found.

H2OIndex = SDB.FindSpecie("H2O(l)") = 3

Moles = SDB.SpElemMoles(H2OIndex,"H") or

Moles = SDB.SpElemMoles(3,"H")

Moles = 2

Example 1

The following example uses the same species as in the above section. It finds all of the aqueous species and sets the split in a unit, RO_Plant, to stream P_14, to a user specified value, RequiredValue. 

Str ReqdSpecie, SplitUnitTag  
long NumSpecies, NumAqSpecies, AqPhaseIndex, SpeciePhase, i

NumSpecies = SDB.SpecieCount()      ; Find the number of species in the project, in this case 12
AqPhaseIndex = sdb.FindIPhase("aq") ; Find the index of the aqueous phase

i = 0
while (i < Numspecies)
  SpeciePhase = sdb.SpIPhaseNo(i)              ; Find the individual phase index of specie with index i
  if (SpeciePhase == AqPhaseIndex)
    ReqdSpecie = sdb.SpSymbol(Spindex)         ; Find the tag of the specie with index i
    SplitUnitTag  = StrCat2("RO_Plant.GM.IOs.[P_14].Splt.", ReqdSpecie , " (%)")
    SetDynTag(SplitUnitTag, RequiredValue)
  endif
  i = i + 1
endwhile

Example 2

The following example retrieves molecular weights at initialisation for use in functions: 

double MW_H2O, MW_NaCl

if (Oninitialise)
 ;------Retrieve Molecular Weights from SysCAD---------
 long SpIndex     ;in all cases assume specie is found (i.e. SpIndex>=0)
 SpIndex = SDB.FindSpecie("H2O(l)")
 MW_H2O = SDB.SpMolecularWt(SpIndex)
 SpIndex = SDB.FindSpecie("NaCl(aq)")
 MW_NaCl = SDB.SpMolecularWt(SpIndex)
 ;...
else
 ;...
endif

Example 3

The following example returns some Water and Steam properties at a user specified Temperature: 

double    StreamT_K*("T", "K")
double    WaterVP@("P", "kPa")
double    Water_MW@
long      WaterIndex, SteamIndex
double    Water_Enthalpy("H(Ms)", "kJ/kg")@, Steam_Enthalpy("H(Ms)", "kJ/kg")@,  LatentHeat@("H(Ms)", "kJ/kg")
double    Water_Density@("Rho", "kg/m^3"), Steam_Density@("Rho", "kg/m^3")


WaterIndex 	= SDB.FindSpecie("H2O(l)") 
SteamIndex 	= SDB.FindSpecie("H2O(g)") 
Water_MW 	= SDB.SpMolecularWt(WaterIndex) 
WaterVP 	= SDB.SpVapourP(WaterIndex,StreamT_K) 
Water_Density 	= SDB.SpDensity(WaterIndex,StreamT_K,WaterVP)
Steam_Density 	= SDB.SpDensity(SteamIndex,StreamT_K,WaterVP)
Water_Enthalpy	= SDB.SpmsHz(WaterIndex,StreamT_K,WaterVP)
Steam_Enthalpy	= SDB.SpmsHz(SteamIndex,StreamT_K,WaterVP)
LatentHeat      = Steam_Enthalpy - Water_Enthalpy

$ ; --- end of file ---

Other Examples

See also example functions to split by specie

Retrieved from "http://help.syscad.net/index.php/Specie_Database_Class"
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