ThermodynamicsTable.jl

Physical Property Packages for Julia-Lang
Popularity
5 Stars
Updated Last
3 Years Ago
Started In
January 2015

ThermodynamicsTable

Build Status

Introduction

ThermodynamicsTable calculates different physical properties of materials, in 0.0.4 version, it can retrieves 17 constants and computes 11 temperature dependent and 1 pressure dependent property for a set of 345 compounds.
Main reference for the quantities are Perry chemical engineering handbook ed.8, but some values have been updated using data from other sources (e.g. YAWS) for more precision or integrity and also some typo errors have been corrected.
Since 0.0.4 this package was fully reviewed for the aim of achieving a similar interface compare to CAPE-Open Themo 1.1 standard in the case of naming, definitions and behavior.

Usage

Refer to CAPE-Open standard a Property Package Manager (PPM), is a software component that manages a set of Property Packages (PP) ,and a Property Package is a software component that can calculate Physical Properties and can retrieve constants for a set of Compounds.
Here ThermodynamicsTable behaves more like a PPM that serves one PP.

julia> using ThermodynamicsTable
`perryanalytic` Property Package was created and is ready to use.

Two interfaces of CAPE-Open thermo 1.1 standard have been implemented and can be used to interact with the system.

  1. ICapeThermoUniversalConstants
    Description:
    Methods implemented by components that can supply the values of Universal Constants.
Units:
  * avogadroConstant => 1/mol
  * boltzmannConstant => J/K
  * idealGasStateReferencePressure => Pa
  * molarGasConstant => J/mol/K
  * speedOfLightInVacuum => m/s
  * standardAccelerationOfGravity => m/s2  

Methods:
  * getuniversalconstant()
  * getuniversalconstantlist()
  1. ICapeThermoCompounds
    Description:
    Methods implemented by components that need to describe the Compounds that occur or can occur in a Material.
Methods:
  * getcompoundlist()
  * getcompoundconstant!()
  * getconstproplist()
  * getnumcompounds()
  * getpdependentproperty!()
  * getpdependentproplist()
  * gettdependentproperty!()
  * gettdependentproplist()
  using ThermodynamicsTable
  getnumcompounds() # => 345
  compIds,formulae,names,boilTemps,molwts,casnos=getcompoundlist();
  waterid=findfirst(names,"Water") # => 342
  println("formulae=$(formulae[waterid]) boilTemps=$(boilTemps[waterid]) molwts=$(molwts[waterid]) casnos=$(casnos[waterid])")
# => formulae=H2O boilTemps=373.1678389916408 molwts=18.015 casnos=7732-18-5
  getconstproplist()
#=  
    17-element Array{String,1}:
     "iupacName"
     "casRegistryNumber"
     "chemicalFormula"
     "standardFormationGibbsEnergyGas"
     "criticalTemperature"
     "standardEntropyGas"
     "criticalVolume"
     "idealGasGibbsFreeEnergyOfFormationAt25C"
     "molecularWeight"
     "criticalPressure"
     "liquidVolumeAt25C"
     "criticalCompressibilityFactor"
     "standardFormationEnthalpyGas"
     "criticalDensity"
     "normalBoilingPoint"
     "liquidDensityAt25C"
     "heatOfVaporizationAtNormalBoilingPoint"
=#
  comps=UInt16[findfirst(names,name) for name in ["Air","Water","Nitrogen"]];
  propvals=Vector{Union{String,Float64}}();
  try
    getcompoundconstant!(["casRegistryNumber","chemicalFormula","criticalPressure","liquidDensityAt25C"],comps,propvals)
  catch err
    if isa(err,ECapeThrmPropertyNotAvailable)
      println("check $propvals for UNDEFIEND values")
    end
  end
  getpdependentproplist() # => "boilingPointTemperature"
  propvals=Vector{Float64}()
  getpdependentproperty!(["boilingPointTemperature"],80000.,comps,propvals)