gpavanb-old/groupcontribution

MATLAB class to calculate physical properties using only functional groups

GroupContribution

This MATLAB code is based on the paper by Constantinou et al. (1994) and calculates physical properties using the group contribution method.

Summary of set up

Just initiate an instance of the GroupContribution class and you can call the required methods after that

fuel = GroupContribution('posf10325','posf10325_init')
fuel.VcVec
fuel.D(101325.0,300.0)

Methods

All methods return a 1D array containing pure component properties of the mixture. A list of methods has been provided below

** Independent Properties - call using dot(.) **

• MW : Molecular Weight (in Kg/mol)
• PcVec : Critical Pressure (in Pa)
• VcVec : Critical Volume (in m ³)
• TcVec : Critical Temperature (in K)
• omegaVec : Acentric Factor
• specVol : Molar Liquid Volume at STP (in m ³)
• epsVec : Lennard-Jones Energy (in multiples of k)
• SigmaVec : Lennard-Jones Radius (in Ã)
• L : Latent heat of vaporization (in J/mol)

** Dependent Properties **

• c_l(T) : Liquid specific heat capacity (in J/mol/K)
• specVol(T) : Latent heat of vaporization (in J/mol)
• PSat(T) : Saturated Vapor Pressure (in Pa)
• D(p,T) : Low pressure diffusion coefficient into air (m ²/s) and pressure in Pa

Fuels

Currently, the code supports the following fuels and it is very easy to add new fuel descriptions to it

• Heptane
• POSF 4658
• POSF 10264
• POSF 10289
• POSF 10325
• POSF 11498
• POSF 12341 (High Viscosity)
• POSF 12344 (Low Cetane/Broad Boil)
• POSF 12345 (Flat Boil)

License

Please refer to the LICENSE.pdf in the repository. Note that this code requires PRIOR PERMISSION FROM AUTHORS FOR COMMERCIAL PURPOSES.

Who do I talk to?

• Repo owner or admin : Pavan Bharadwaj
• Other community or team contact : The code was developed at the Flow Physics and Computational Engineering group at Stanford University. Please direct any official queries to Prof. Matthias Ihme