IdealGas

Tuple of element weights. This is used for the calculation of molecular weights

Function to calculate the standard potential for CO oxidation

Usage:

E0_CO(thermoObj, T)

• thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• T: Temperature in K

Function to calculate the standard potential for H2 oxidation. This function uses the enthalpy of formation of water vapour.

Usage:

E0_H2(thermoObj, T)

• thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• T: Temperature in K

Calculates the Gibbs free energy of a muxture in J/mol

Usage

Gmix(thermoObj,T,p,mlf)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K
• 'p::Float64' : total pressure Pa
• 'mlf::Array{Float64,1} ': mole fractions

H(thermo::NASAThermo, T::Float64) Calculates the enthalpy of pure species J/mol

Usage-1:

H(thermo,T)

• 'thermo::NASAThermo': NASAThermo of the species
• 'T::Float64': Temperature in K at which the property is required

Usage-2:

H(sp,T,thermo,ig)

• sp::String : species name
• T::Float64 : Temperature K
• thermoObj::SpeciesThermoObj : Structure of SpeciesThermoObj
• species_list::Array{String,1} : List of species

Calculates the enthalpy of all species in J/mol

Usage

H_all(td,T)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K at which the property is rquired

Hmix(thermoObj::SpeciesThermoObj,T::Float64,mlf::Array{Float64,1}) Calculates the enthalpy of a mixture J/mol

Usage

Hmix(td,T,mlf)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K
• 'mlf::Array{Float64,1}' : species mole fractions

S(thermo::NASAThermo, T::Float64) Calculates the entropy of pure species J/mol-K

Usage-1:

S(thermo,T)

• thermo::NASAThermo: NASAThermo of the species
• T::Float64: Temperature in K at which the property is required

Usage-2:

S(sp,T,thermo,ig)

• sp::String : species name
• T::Float64 : Temperature K
• thermo::SpeciesThermoObj : Structure of SpeciesThermoObj
• species_list::Array{String,1} : List of species

Calculates the entropy of all species in J/mol-K

Usage

S_all(td,T)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K at which the property is rquired

Smix(thermoObj::SpeciesThermoObj,T::Float64,p::Float64,mlf::Array{Float64,1}) Calculates the entropy of a muxture in J/mol-K

Usage

Smix(thermoObj,T,p,mlf)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K
• 'p::Float64' : total pressure Pa
• 'mlf::Array{Float64,1} ': mole fractions

Calculate the specific heat of pure species J/mol-K

Usage-1:

cp(thermo,T)

• thermo::NASAThermo: NASAThermo of the species
• T::Float64: Temperature in K at which the property is required

Usage-2:

cp(sp,T,thermo,ig)

• sp::String : species name
• T::Float64 : Temperature K
• thermoObj::SpeciesThermoObj : Structure of SpeciesThermoObj
• species_list::Array{String,1} : List of species

Calculates the specific heat of all species in J/mol-K

Usage

cp_all(td,T)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K at which the property is rquired

Calculates the specific heat of a mixture in J/mol-K

Usage

cpmix(td,T,mlf)

• 'thermoObj::SpeciesThermoObj' : Structure of SpeciesThermoObj
• 'T::Float64' : Temperature in K
• 'mlf::Array{Float64,1}' : species mole fractions

Function to create thermo object. The function reads the therm.dat file and parses the content based on the ideal gas object to create the thermo data object The function returns SpeciesThermoObj

Usage:

create_thermo(species::Array{T,1}, thermo_file::AbstractString )

• species : Array of species names
• thermo_file : name of the thermo file including the path

getelementweight(el)

function to return the element weights

Usage:

get_element_weight(el)

• 'el::String' : Element name

Function to calculate the Nernst potential for H2 oxidation

Usage:

nernst(E0, T; pH2, pO2, pH2O)

• E0 : standard potential for H2 oxidation
• T : Temperature in K
• pH2 : Partial pressure of H2 (Pa)
• pO2 : Partial pressure of O2 (Pa)
• pH2O : Partial pressure of H2O (Pa)

Function to calculate the Nernst potential for CO oxidation

Usage:

nernst(E0, T; pCO, pO2, pCO2)

• E0 : standard potential for CO oxidation
• T : Temperature in K
• pCO : Partial pressure of CO (Pa)
• pO2 : Partial pressure of O2 (Pa)
• pCO2 : Partial pressure of CO2 (Pa)

Function for parsing the first line of thermo data. It returns the species name, phase, molecular weight, high temperature, low temperature and Common temperature limits Not for external calls

Usage:

parase_thermo_species_data(data_string)

This function will parse the polynomials Not for external calls