Species Calculation Expressions
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Navigation: User Guide ➔ Edit ➔ Project Configuration (cfg File) ➔ Calculation Configuration ➔ Species Calculation Expressions
Edit Configuration Step 2 of 2  Calculation Tab  

Calculation Configuration (Summary)  User Property Calculations  User Property Expressions  Species Calculations  Species Calculation Expressions 
Species Calculation Expressions Table
Expression 
Description 
Syntax 
Examples 
Notes

 Range Functions   
If Statement  Tests if the expression is true, then returns the true value, if not then returns the false value.  If(logical test, value if true, value if false)  If(T(K)>373, 100, 0)  The result is 100 if stream temperature is greater than 373K, otherwise the result is 0. 
Minimum  Returns the minimum value of the two variables  Min(value or expression, value or expression)  Min(T(K), 300)  The function will return 300 if T(K) is over 300. This is used to set the maximum value. 
Maximum  Returns the maximum value of the two variables  Max(value or expression, value or expression)  Max(0.01, [C_concentration])  The function will return 0.01 if C_Concentration is less than 0.01. This is used to set the minimum value. Typically used to protect division by zero errors. 
Range  Returns the value between a specified range  Range(min, expression, max)  Range(0, [Efficiency], 100)  The user defined variable Efficiency is ranged between 0 and 100. 
 Maths Functions   
Exponential  e raised to the power of the value of the expression  Exp(expression)  Exp(2)  The result is e^2 = 7.389 
Natural Logarithm  The natural logarithm of the expression is calculated  Ln(expression)  Ln(5)  The result is Ln 5 = 1.609 
Base 10 Logarithm  The base 10 logarithm of the expression is calculated  Log(expression)  Log(10)  The result is Log_{10}10 = 1 
Squared  The result of the expression is squared (raised to power of 2)  Sqr(expression)  Sqr(3)  The result is 3^2 = 3*3 = 9 
Square Root  The square root of the expression is calculated  Sqrt(expression)  Sqrt(9)  The result is 3. 
Absolute Value  The absolute value of the expression is returned  Abs(expression)  Abs(5)  The result is 5. 
Sine  The sine of the expression is calculated (assumes expression is in radians)  Sin(expression)  Sin(2)  The result is sin 2 = 0.909 
Cosine  The cosine of the expression is calculated (assumes expression is in radians)  Cos(expression)  Cos(2)  The result is cos 2 = 0.416 
Power  A term is raised to the specified power.  Pow(expression,power factor)  Pow(4,3)  The result is 4^3 = 4 * 4 * 4 = 64 
 Stream Functions   
Stream Temperature  The stream temperature  T(units)  T(K)  SI Units (K) is returned. 
Stream Pressure  The stream pressure  P(units)  P(kPa)  SI Units (kPa) is returned. 
 Species Functions   
Species Flow  Flow of individual species  [speciesname(phase),T,P]  [H2O(g)]  This will return the flow/fraction of this individual species, dependent on the view chosen. The Temperature(K) and Pressure(kPa) terms are optional. 
Species Molecular Weight  Molecular weight of species  MW(speciename(phase)) or MW(AxBy) 
MW(H2SO4(aq)) (where H2SO4(aq) IS in the configuration file) MW(Fe1O1) (where FeO is NOT in the configuration file) 
If the species is NOT in the project, then the user must specify the elemental breakdown of the species. 
Density of Species  Density of the selected Species  Density(species(phase),T,P)  Density(H2O(l),373.15,101.325)  This will return the density value of the selected species. The Temperature(K) and Pressure(kPa) terms are optional. 
 Phase Functions   
Phase Flows  The flow of a single or multiple phases  SumPhase(s,l,g)  SumPhase(l) SumPhase(s,l) SumPhase(s,l,g) 
will return the flow of the liquid phase only will return the flow of the slurry (solid and liquid phases) will return the entire flow 
Individual Phase Flows  The flow of a single individual phase or multiple individual phases  SumIPhase(s,l,aq,o,g,...)  SumIPhase(aq) SumIPhase(sl) SumIPhase(aq,l) 
will return the flow of the aqueous phase will return the flow of the slag phase will return the flow of all liquid and aqueous species 
 Elemental Functions  Elemental flows are only valid in Mass or Molar views. Any calculations involving the elemental functions will not be shown in a volume view.  
Elemental Molecular Weight  Molecular weight of an element  MW(Element)  MW(Al)  The molecular weight of ANY element can be accessed. 
Elemental Phase Flows  The flow of a single or multiple phases for a single element  SumElemPhase(El,s,l,g)  SumElemPhase(S,l) SumElemPhase(S,s,l) SumElemPhase(S,s,l,g) 
will return the flow of Sulfur in the liquid phase only will return the flow of Sulfur in the slurry (solid and liquid phases) will return the entire flow of Sulfur 
Elemental Individual Phase Flows  The flow of a single individual phase or multiple individual phases for a single element  SumElemIPhase(El,s,l,aq,o,g,...)  SumElemIPhase(H,aq) SumElemIPhase(H,sl) SumElemIPhase(H,aq,l) 
will return the flow of Hydrogen in the aqueous phase will return the flow of the Hydrogen in the slag phase will return the flow of Hydrogen in all liquid and aqueous species 
 General Constants   
Standard Temperature  The standard temperature in the project  StdT(units)  StdT(K)  SI Units (K) is returned. 
Standard Pressure  The standard pressure in the project  StdP(units)  StdP(kPa)  SI Units (kPa) is returned. 
Normal Temperature  The normal temperature in the project  NormalT(units)  NormalT(K)  SI Units (K) is returned. 
Normal Pressure  The normal pressure in the project  NormalP(units)  NormalP(kPa)  SI Units (kPa) is returned. 
Project User Values  The User Value entered in the project  Val(index)  Val(1)  User value from the plant model is returned. 
 Environmental Functions   
Ambient Temperature  The ambient temperature as defined in the project  AmbientT(units)  AmbientT(K)  SI Units (K) is returned. 
Atmospheric Pressure  The atmospheric pressure as defined in the project  AtmP(units)  AtmP(kPa)  SI Units (kPa) is returned. 
 Calculations  Only visible if Species Calculations have been added.  
User Defined  Any previously defined Species Calculations can be used as part of a new calculation. The user defined calculation tags will be enclosed by square brackets.  N/A  TotalFe = [Fe2+] + [Fe3+]  The user must have defined Fe2+ and Fe3+ for the example to be valid. For example: Fe2+ = [FeSO4(aq)] * MW(Fe)/MW(FeSO4(aq)) and Fe3+ = [Fe2[SO4]3(aq)] * 2 * MW(Fe)/MW(Fe2[SO4]3(aq)) 
NOTES:
 Function SumPhase() has only three valid phase occurrences: s, l, g.
 Function SumIPhase() may contain user defined individual phases. However, the phase description must match what has been defined in the species database. User must check the individual phase name is specified correctly. For example, if the organic species are specified with (o), then user can use SumIPhase(o) to sum up the total organics.